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  • American Association for the Advancement of Science (AAAS)  (35,113)
  • International Union of Crystallography (IUCr)
  • 1990-1994  (20,483)
  • 1985-1989  (17,226)
  • 1980-1984  (16,780)
  • 1955-1959  (1,463)
  • 1925-1929
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  • 101
    Electronic Resource
    Electronic Resource
    Japan Annual Reviews in Electronics, Computers and Telecommunications (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 580-580 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882012710
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  • 102
    Electronic Resource
    Electronic Resource
    Determination of notch-tip plasticity by X-ray diffraction and comparison to continuum mechanics analysis (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 594-601 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Dislocation-free silicon crystals of ({\bar 2 \bar 1 \bar 1}) orientation with a hyperbolic notch, subjected to tensile deformation at 1073 K, were used as model material for the analysis of the induced plastic zone. The results obtained by X-ray topography and X-ray rocking-curve measurements were compared to theoretical calculations and predictions based on continuum mechanics. Good agreement between experiment and theory was obtained regarding the shape of the plastic zone, the contribution of the active slip systems to the size of the plastic zone and the direction of the maximum plastic strain trajectory in the zone. Discrepancies between experiment and theory regarding the symmetry relation of the plastic zone lobes and the dislocation density near the notch tip were attributed to the interactions and resulting work-hardening. These aspects were not taken into account in calculations of continuum mechanics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882012746
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  • 103
    Electronic Resource
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    An approach to the isotypical and solid solution problems in multiphase X-ray analysis (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 605-610 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In two previous papers, algorithms designed for searching, matching and identifying phases in qualitative X-ray powder analysis were reported [Schreiner, Surdukowski & Jenkins (1982). J. Appl. Cryst. 15, 513–523, 524–530]. This paper extends the searching technique to unknowns containing isotypical phases and solid solutions. Methods are described for distinguishing among isotypical compounds in qualitative analyses, and for permitting the retrieval of phases in a data base that differ from measured patterns by a uniform Δd/d scale factor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988201276X
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  • 104
    Electronic Resource
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    The approximation of asymmetric neutron powder diffraction peaks by sums of Gaussians (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 615-620 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Neutron powder diffractometers operating with large vertical counter acceptance angles produce diffraction patterns in which the peaks are shifted and broadened, and may become distinctly asymmetric. It is shown that a sum of Gaussians generally provides a good approximation to these peaks. The sum of Gaussians has been included as an optional description of the profile within an existing profile refinement program. In this application, the sum incorporates a single asymmetry parameter which can be estimated from the diffractometer geometry or determined in the refinement. It is recommended that, in describing asymmetric peaks, the sum of Gaussians be used in place of the simple Gaussian multiplied by Rietveld's semi-empirical asymmetry factor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882012783
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  • 105
    Electronic Resource
    Electronic Resource
    The sulphate ion in aqueous solution: an X-ray diffraction study of a ZnSO4 solution (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 621-625 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Two distinct X-ray diffraction studies of 2̃ mol dm−3 ZnSO4 solutions were carried out in order to assess the possibility of studying the state of the sulfate ion in water and to verify whether and how structural information depends on possible differences in experimental data. It is shown that the X-ray diffraction method is unable to provide results capable of unambiguous modelling of the SO2−4 coordination; even the complete omission of sulfate-water interactions does not lead to unsatisfactory synthetic structure functions. This conclusion does not seem to be affected by differences in the experimental data; however, some characteristics of the `best' models can be affected by differences in experimental data that are within the limits of experimental uncertainties.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882012795
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  • 106
    Electronic Resource
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    A coordinate X-ray diffractometer based on a two-dimensional proportional chamber and a two-circle goniometer (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 626-631 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A coordinate X-ray diffractometer based on a flat two-coordinate multiwire proportional chamber 350 × 350 × 10 mm and information readout from cathode printed-circuit delay lines is described. The diffractometer is used to study macromolecular single crystals. The chamber is placed on a two-circle goniometer at distances of 300, 500 and 750 mm from the crystal. The diffractometer operates on-line with an SM-2 computer. A diffraction picture is collected in a 64 K 16-bit word computer core memory with the maximum count rate of 250000 events s−1. The detection quantum efficiency of Cu Kα radiation is about 70%. The number of spatial resolution elements of a diffraction picture is ̃50000, the resolution time ̃0.5 μs. The general case of inclined geometry is used. The diffraction picture is collected during quasi-continuous scanning. Control of the diffractometer, data collection and pre-computing X,Z are performed at the same time. The diffractometer makes it possible to study single crystals having unit cells up to 250 Å at a resolution of 3.5 Å and to 84 Å at a resolution of 1.5 Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882012801
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  • 107
    Electronic Resource
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    New crystal data of some solid transition-metal complexes (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 632-635 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: X-ray powder data have been recorded for the 32 complexes: CuL2X2 [L = 2-(2-pyridyl)acetamide (aapH), N-(2-pyridyl)benzamide (bapH), N,N′-diacetyl-2,6-diaminopyridine (daapH), N,N′-dibenzoyl-2,6-diaminopyridine (dbapH); X = Cl, Br]; ML2X2(M = Ni, Co; L = aapH, bapH, daapH, dbapH; X = Cl, Br, I). These data indicate that, in all cases: (a) complexes ML2X2(M = Ni, Co; X = Cl, Br, I) are isomorphous; (b) complexes CuL2X2(X = Cl, Br) are isomorphous; (c) the Cu complexes are not isomorphous with the Ni and Co analogues (a difference ascribed to the Jahn–Teller effect); and (d) the three points (a)–(c) above are consistent with the available spectral and magnetic data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882012813
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  • 108
    Electronic Resource
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    Simple stereoscopic representation of protein active sites using van der Waals potential contour levels (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 636-637 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: To allow a convenient three-dimensional visualization of protein features and particularly of binding sites van der Waals contour levels are produced on large-scale stereopairs (about 0.3 to 1.0 cm Å-1). A chain of Fortran programs has been written and give screen or paper graphic outputs. The large-scale stereopairs can be easily viewed with only two ordinary mirrors.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882012849
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  • 109
    Electronic Resource
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    Crystals: growth, properties and applications. Vol. 5. Silicon edited by J. Grabmaier (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 639-639 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882012886
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  • 110
    Electronic Resource
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    A method for collection of step-scan data on a CAD4 diffractometer, homogeneity of the monochromated primary X-ray beam (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 11-13 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A procedure for collecting protein data by a simulated step-scan method is described for a CAD4 diffractometer. The method allows one to collect 100–150 reflections per hour without any significant loss in accuracy, thus reducing the time spent on each reflection by a factor of 2–3 compared with the ω–2θ scan technique. A comparison between data collected for the protein phospholipase C by the present method and by the ω–2θ technique gives a reliability factor of 2%. Prior to this work the homogeneity of the X-ray beam from a graphite monochromator was determined, and the intensity cross section of the monochromatized X-ray beam showed that the total X-ray illumination of the crystal is practically unchanged regardless of the orientation of the crystal in the primary beam.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883009875
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  • 111
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    Eigenvalue filtering in the refinement of crystal and orientation parameters for oscillation photography (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 238-243 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Selective application of only parameter shifts with large eigenvalues permits singular or near-singular least-squares problems to be solved. This `eigenvalue filtering' process has been applied to the refinement of the unit-cell, crystal-orientation and reflecting-range parameters needed to process oscillation films. Eigenvalue filtering permits automatic identification and determination of just those combinations of parameters that are most relevant for processing films from a particular crystal in a particular setting. The procedure may be carried out with alignment information from an individual data film or from multiple alignment films taken at different spindle angles. Eigenvalue filtering has been incorporated in a refinement program that minimizes discrepancies between observed and calculated fractions recorded for partially recorded reflections. This permits the reflecting range (combined mosaic spread, beam cross-fire, and wavelength spread) to be refined along with the unit-cell and orientation parameters. Observed fractions recorded may be obtained by visual estimation prior to film scanning, or the program may be used in a `post-refinement' mode with data obtained from actual intensity measurements. The relatively unreliable information represented by the positions of spots on the film is not used except for indexing. The program handles crystals of any symmetry in any setting and the oscillation spindle may be inclined from normal beam geometry. The mis-setting angles are defined in a crystal-fixed coordinate system, making it easy to compare refinement results for data taken at different spindle angles.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889884011444
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  • 112
    Electronic Resource
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    Optimization of the experimental resolution for small-angle scattering (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 249-256 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The instrumental optimization conditions for most small-angle scattering experiments in which the data are azimuthally symmetric require that the scattered flight path be equal to the incident flight path. This is in contrast to a recent analysis which shows that under some conditions the incident and scattered flight paths are in a ratio of two to one. The equal flight-path condition is also valid for experiments measuring sharp (Bragg-like) peaks, or where the intensity is required at specific scattering vectors, as in low-angle diffraction of ordered or semiordered systems. The implications of the optimization conditions on the resolution and count rates at the detector are discussed for both types of experiment, and the dependence of the resolution on the spectrometer geometry is considered.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889884011468
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  • 113
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    High-resolution measurements of angle-resolved X-ray scattering from optically flat mirrors (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 257-264 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: With a compact arrangement using single-crystal collimator and analyzer (silicon 220 reflection) of channel-cut type, angle-resolved scattering (ARS) curves of X-rays (Cu Kα1) for optically flat mirrors have been measured at various glancing angles, ω, of X-rays to the mirror surface with an angular resolution of 4′′. Weak scattered intensity (10−3–10−5 of the specularly reflected beam) is observed over an angular range of a few hundred arc s below and above the direction of specular reflection. When ω is close to the critical angle for total reflection, the scattered intensity at the low-angle tail of ARS curves is higher than that at the high-angle tail. This asymmetric tail profile of ARS curves is explained by simply superposing intensities of specularly reflected beams from surface elements inclined to each other.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988401147X
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  • 114
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    Comments on Small-angle scattering at a pulsed neutron source: comparison with a steady-state reactor (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 293-294 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A recent comparison of data for a specific experiment taken on a time-of-flight small-angle scattering spectrometer on a pulsed neutron source and data for the same kind of experiment taken at a steady-state reactor suggests that the instruments have similar performances, and in particular comparable count rates at the detector. This similarity disappears when resolution is taken into account. The criterion for a valid comparison should be the detector count rate for instruments measuring over similar ranges of scattering vector and with similar resolutions, as required by the particular experiment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889884011523
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  • 115
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    Accuracy and resolution in protein crystallography: a probabilistic approach (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 273-285 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The purpose of this paper is to establish an explicit correlation between the values and probable deviations of the observed intensities and the potential accuracy of the structure eventually determined using those intensities. This problem involves several steps: the choice in real space of a reference stochastic model defining the ideal state of ignorance; the determination in reciprocal space of the probability density corresponding to that model and of the probability law corresponding to the experiment; the determination of the information; the transfer of the information from reciprocal to real space; the interpretation of the information in terms of structural resolution. A rigorous treatment of this problem is hindered by the inadequate knowledge of the statistical correlations between different reflections; more realistically, it is convenient to address a simpler problem, corresponding to an ideal experiment in which the intensities relevant to each reflection are measured independently of all the other reflections. In this case the mathematical problems can easily be solved and a parameter introduced – called projection information – whose value can be determined. This information is the sum of two terms, one associated with the modulus, the other with the phase of each reflection. By resorting to a mathematical model it is possible to make use of the projection information to determine the value of a parameter akin to structure resolution. The final result of this work is an operational definition of resolution, based upon the stochastic properties of the experimental observations. This resolution can be used to assess and compare the intrinsic quality of different structure analyses and of different stages of one structure determination, before the structure is solved.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988401150X
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  • 116
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    The effect of profile-step counting time on the determination of crystal structure parameters by X-ray Rietveld analysis (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 297-306 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystal structure parameters have been obtained for α-Al2O3, β-PbO2 and (Mg, Fe)2SiO4 by Rietveld analysis of Cu Kα X-ray powder diffraction data collected on a conventional diffractometer using counting times ranging from 0.01 to 5 s per step. For all but the 0.01 s data collected on (Mg, Fe)2SiO4 the structural parameters obtained at different counting times are statistically identical at the 3 σ level, and the spread in the values is essentially the same as that obtained by sample repacking at a fixed counting time of 1 s per step. The parameter e.s.d.'s and conventional agreement indices Rwp and RB decrease to values limited by residual model errors as the counting time increases, but the goodness-of-fit parameter becomes unacceptably larger than its ideal value of unity. When more than a few thousand counts are accumulated for the maximum step intensity in the diffraction profile a weighting scheme based solely on counting variance is inappropriate and the parameter e.s.d.'s are no longer a reflection of their accuracy.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889884011547
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  • 117
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    The many-beam moiré effect in electron micrographs of epitaxic Sn/SnTe layers (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 307-314 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The many-beam dynamical theory of moiré fringes of Gevers [Phys. Status Solidi (1963). 3, 2289–2297] has been applied to the parallel moiré case and the results have been verified on epitaxically grown Sn/SnTe specimens showing the sensitivity of moiré patterns to the presence of systematic reflections. The Fourier analysis of the calculated intensity profiles showed that each additional diffracted beam gives rise to a new term in the Fourier series so that the profile can be sinusoidal only in the two-beam approximation. The same result has been obtained recently by Pardo, Pariset & Renard [Phys. Status Solidi A. (1981). 64, 283–295], who applied a slightly different theoretical approach to Sb/Bi specimens. It is shown that the corrections to scattering factors for temperature effects are not important since they do not affect the general character of the moiré profiles. Some experiments were performed showing the dependence of the moiré pattern on the number of beams that are transmitted through the objective aperture. The effect of the gradual thinning of one layer on the moiré pattern could be reproduced by computer simulation.
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    URL: http://dx.doi.org/10.1107/S0021889884011559
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  • 118
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    The true unit cell of ammonium hydrogen sulfate, (NH4)3H(SO4)2 (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 331-333 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A combination of X-ray powder diffraction and single-crystal Laue photography was used to determine the unit-cell parameters for letovicite. μr = 247.25. The unit cell is triclinic, P1 or P{\bar 1}, and has dimensions a0 = 5.87(1), b0 = 10.17(3), c0 = 8.27(1) Å, α = 101.1(4), β = 111.1(1), γ = 89.9(2)°, V = 450.7 Å3, Z = 2, Dx = 1.82 Mg m−3. The M(20) cell reliability is 23.8. Many weak powder spectra were observed, which preclude the possibility of monoclinic cell symmetry previously reported. Projection of the letovicite Laue data along [001] reveals the striking pseudo-hexagonal symmetry observed optically. The JCPDS Diffraction File No. for ammonium hydrogen sulfate is 35-1500.
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    URL: http://dx.doi.org/10.1107/S0021889884011596
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  • 119
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    On the automatic extension of incomplete models by iterative Fourier calculation (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 364-366 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A program is presented that solves crystal structures completely using advanced Fourier methods starting from a small known fraction (about 8%) of the structure. The program uses a statistical test based on the R2 factor to check the correctness of the model obtained so far. The results obtained with four test structures are given.
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    URL: http://dx.doi.org/10.1107/S0021889884011705
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  • 120
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    A sample holder for cutting single crystals along any desired X-ray oriented plane (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 369-370 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    URL: http://dx.doi.org/10.1107/S0021889884011730
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  • 121
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    Use of a one-dimensional position-sensitive detector with a Kratky camera (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 370-370 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    URL: http://dx.doi.org/10.1107/S0021889884011742
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  • 122
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    A technique for the preparation of low-temperature powder samples of noxious materials (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 372-372 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    URL: http://dx.doi.org/10.1107/S0021889884011766
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  • 123
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    Crystallographers (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 373-373 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    URL: http://dx.doi.org/10.1107/S002188988401178X
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  • 124
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    Symposium on Crystallographic Studies Using Energy-Dispersive Diffraction, American Crystallographic Association, Boston University, Boston, Massachusetts, USA, 12–17 August 1979 (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 340-341 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    URL: http://dx.doi.org/10.1107/S0021889880012228
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  • 125
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    Nondestructive evaluation of semiconductor materials and devices by J. N. Zemel (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 342-342 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    URL: http://dx.doi.org/10.1107/S0021889880012253
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  • 126
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    New methods of X-ray diffraction spectrometry. I. Image formation in curved crystals (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 354-358 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Image formation in a dispersive system, consisting essentially of a perfect cylindrically bent crystal in association with a point source, has been studied both for transmission and reflection. The Laue and Bragg conditions have been calculated together with the dispersive power. The treatment has been extended to include two crystals. In the single-crystal case and also for most versions of two-crystal combinations a point or line focus is required to obtain highly resolved spectra. A few versions of the two-crystal arrangement can be made to be focusing, thereby enabling the use of an extended radiation source.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012289
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    Zone-axis pattern maps for graphite (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 364-367 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Zone-axis pattern maps for graphite have been obtained using multiple-micrograph montages. Maps have been constructed with bend-contour micrographs and with Kossel–Möllenstedt patterns, both obtained at 100 kV. The two kinds of map are compared.
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  • 128
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    Multiple-scattering treatment for small-angle scattering problems (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 385-390 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Analytical explicit expressions have been derived for multiple-scattering effects under assumptions which are usually fulfilled in small-angle scattering. The expressions are used to evaluate quantitatively distortions of scattering patterns caused by multiple scattering. The distortions are discussed in terms of changes of the forward-scattering cross section, the radius of the gyration, the integrated intensity, the Porod region and Porod constant. In addition, the analytical expressions have been used to calculate the scattering cross section of the sample from scattering patterns which are strongly affected by multiple scattering.
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    Crystallographers (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 401-401 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012411
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  • 130
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    Phase transitions in ammonium nitrate (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 403-409 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The phases of ammonium nitrate, NH4NO3, doped with small amounts of NiO or CuO have been studied by X-ray and neutron diffraction at various temperatures from 80 to 423 K. NH4NO3 with metal-oxide additives, which are believed to form complexes, exists as a solid solution. Phase IV is stable down to 140 K in the NiO-doped samples and 210 K in the CuO-doped sample. The thermal expansion of this phase is extremely anisotropic, with the b axis expanding rapidly with increasing temperature while the a axis contracts slightly. At higher temperatures the doped samples transform directly from phase IV to phase II, bypassing phase III, starting at about 328 K. The structure of phase II, which is disordered, was refined in the space group P4/mbm. The structure of phase III contains hydrogen-bonded chains parallel to the b axis.
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  • 131
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    A white-X-ray four-circle diffractometer (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 433-437 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A white-X-ray (Bremsstrahlung) four-circle diffractometer with a solid-state detector [Si(Li)] has been constructed. The system is operated by a small computer with magnetic disk memories, and enables energy-dispersive intensity measurements to be carried out with the X-rays selected from white X-rays. The present paper describes (1) how the present system can be used for energy-dispersive diffractometry even with the white radiation from a standard X-ray tube, and (2) how this system allows the measurement of the integrated intensities with almost the same accuracy as in angle-dispersive diffractometry with characteristic X-rays.
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    URL: http://dx.doi.org/10.1107/S0021889880012496
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  • 132
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    A novel low-temperature X-ray goniometer with closed-cycle cooling to about 18 K (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 425-432 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A unique low-temperature, full-circle goniometer for single-crystal X-ray diffraction has been constructed with the novel adaptation of a closed-cycle refrigerator in such a manner that the cold finger remains stationary during the φ and χ rotations. This has been made possible through the development of a flexible heat-transfer link between the top of the φ shaft and the cold station. The new design concept incorporates several important features: (1) the vacuum shroud and radiation shields also remain stationary so as to reduce the X-ray windows to narrow slots; (2) the sample crystal is enclosed in a black, nearly isothermal cavity (Hohlraum); and (3) the φ shaft is mechanically decoupled from the thermal contraction of the cold finger and other parts. The new system has considerable advantages over presently existing low-temperature adaptations for X-ray diffraction: (1) the goniometer operates between 300 and 18 K without expenditure of liquid cryogen and with minimal attendance; (2) the system is capable of operating for long periods of time with minimal risk of interruption of the cooling cycle; (3) absorption of X-rays by the windows is minimal and independent of the Bragg angle; and (4) data collection at any temperature down to its present lowest limit of 18 K is virtually as easy as with any conventional room-temperature diffractometer. At the time of writing the instrument has been in use for over 10000 h and has measured over 100000 X-ray reflections from single crystals.
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  • 133
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    Computer program for radial distribution calculation from known bonding topologies (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 459-461 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A RAdial Distribution MOdeling Routine (RADMOR) is available which calculates directly the radial distribution function that would be obtained from electron, X-ray and neutron diffraction for spherical regions of known bonding topology. Crystalline as well as model fragment topologies can be evaluated in modeling the atomic arrangement in amorphous materials.
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  • 134
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    A technique for controlling preferred orientation in powder diffraction samples (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 462-462 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012563
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  • 135
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    A systematic method of estimating the performance of X-ray optical systems for synchrotron radiation. I. Description of various optical elements in position–angle space for ideally monochromatic X-rays (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 465-471 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The performances of various optical elements are presented for ideally monochromatic X-rays in terms of position–angle space, which is used in the phase-space method. The optical elements discussed are a synchrotron radiation source, flat perfect crystals (reflection and transmission geometries), mosaic crystals, curved crystals of reflection (Johansson, Johann and logarithmic spiral types) and transmission geometries, and an elliptic total reflection mirror. The angular widths of acceptance and emergence for diffraction are properly taken into account in both the flat and curved crystals. It is shown that focusing optical elements such as a curved crystal and an elliptical mirror should not be treated simply as lenses.
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  • 136
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    An X-ray crystallographic study of V2D (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 486-493 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Both superlattice and fundamental reflections have been used in an X-ray determination of the vanadium-atom displacements induced by selected ordering of interstitial deuterium in a multi-domain crystal of V2D. The magnitudes of these displacements along X and Z directions of the pseudo-tetragonal (b.c.t.) unit cell are designated DAX and DAZ respectively, where Z is along the tetragonal c axis. Measurements of the lattice parameters yield DAX ∼0.03 and DAZ ∼0.17 Å. From intensity measurements, the best values for the displacements are DAX = 0.03±0.01 and DAZ = 0.15±0.02 Å, and the purely thermal Debye–Waller factor was found to be 2B = 0.025 Å2. The temperature dependences of both the long-range-order parameter, S, and the lattice parameters of the b.c.t. unit cell were also investigated. Both verify that the phase transition from β (monoclinic) to α (b.c.c.) is first order in character with no intervening ε (tetragonal) phase as in V2H. There is additional evidence that the disordering process includes random occupancy of both Z octahedral and random tetrahedral sites.
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  • 137
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    The structure of a lipid–water lamellar phase containing two types of lipid monolayers. An X-ray and neutron scattering study (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 505-512 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: One lamellar phase, observed in the mitochondrial lipids–water system at low temperature (ca 253 K) and at low water content (ca 15%), contains four lipid monolayers in its unit cell, two of type α and two of type β. Previous X-ray scattering studies of this phase led to an ambiguity: the phase could contain either two homogeneous bilayers, one α and one β, or two mixed bilayers, each formed by an α and a β monolayer. A solution to this problem was sought in a neutron scattering study as a function of the D2O/H2O ratio. Because of limited resolution, straightforward analysis of the neutron scattering data leads also to ambiguous results. Using a more sophisticated analysis based upon the zeroth- and second-order moments of the Patterson peaks relevant to the exchangeable components, it is shown that the weight of the evidence is in favour of a structure containing mixed bilayers.
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  • 138
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    A search for internal distortion in CeBi (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 529-532 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: At the IA magnetic transition (12.5 K) in CeBi a theoretical study has suggested that either the Ce or Bi sublattices should move with respect to the other. Such a distortion would give rise to extra reflections of the form 0′0′l+½. A search for such a reflection using a Bond X-ray diffraction technique was conducted. The 007½ line was not found and an upper limit of 2̃ × 10−4 was set for the magnitude of the expected internal distortion. This limit is valid for a surface layer whose thickness equals the penetration depth of the X-radiation which is about 0.4 × 10−2 mm.
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  • 139
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    A computer program generating parameters useful in X-ray diffraction topography studies (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 577-578 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A simple Fortran computer program XRTDAT is described. This program generates data useful in the planning, execution and interpretation of an X-ray topographic experiment.
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  • 140
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    Industrial crystallization 81 edited by S. J. Jancic and E. J. de Jong (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 580-580 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883011115
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  • 141
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    The sampling theorem and small-angle scattering (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 581-589 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: All information about the scattering sample obtainable from small-angle scattering data is shown to be contained in the discrete measured points of a scattering curve distorted by arbitrary collimation conditions, provided that the interval Δh between adjacent measured points fulfils the condition Δh ≤ π/L, where L is the largest correlation distance in the sample; h = 4πλ−1sinθ; λ is the scattered wavelength; and 2θ is the scattering angle. A simple technique has been developed for separation of part of the noise. It is shown that if the total time for measuring a scattering curve is held constant, a scattering curve recorded with Δh equal to the sampling-point interval π/L gives results like those obtained for a scattering curve recorded with a measured point distance smaller than that sampling-point interval. Therefore, Δh should be chosen to be small enough to guarantee that Δh ≤ π/L. Furthermore, a technique has been developed to calculate missing data points from the measured intensities. The condition Δh ≤ π/L has been found to be important for this calculation.
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  • 142
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    Crystal-structure refinement by profile fitting and least-squares analysis of powder diffractometer data (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 611-622 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The refinement of crystal structures using X-ray powder data in a two-stage method is described. (1) The integrated intensities of the individual reflections are derived by a profile fitting method in which the profile shapes are accurately defined using an experimentally determined instrument function and the sum of Lorentzian curves. (2) These values are then used in a powder least-squares refinement for structure determination. The results obtained with three simple structures (silicon, quartz and corundum) gave R(Bragg) values of 0.7 to 2.5%. The necessity of correcting for preferred orientation and the importance of proper specimen preparation are also discussed.
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  • 143
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    Lattice-parameter measurements of PbHPO4 single crystals by the ratio method (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 623-628 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Temperature dependences of PbHPO4 single-crystal lattice parameters were measured by the ratio method in the range 158–421 K. Below the ferroelectric phase transition (Tc = 310 K) lattice parameter b increases non-linearly with decreasing temperature while all others decrease linearly. The ratio method was generalized to the monoclinic crystal system for this purpose.
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  • 144
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    Correction for escape in X-ray spectra measured using a Ge detector (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 641-644 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: X-ray spectra measured with a germanium detector can be corrected for escape. A numerical procedure to perform the correction has been implemented. The method employs a point by point subtraction and allows for energy-dependent detector resolution.
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  • 145
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    Asymmetrically grooved monolithic crystal monochromators for suppression of harmonics in synchrotron X-radiation: erratum (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 648-648 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A typographical error has occurred in Hashizume [J. Appl. Cryst. (1983). 16, 420–427]. The first two complete sentences on page 425 should read: A attains a minimum value of 0.024 at bII = 0.27, where about half of the initial fundamental intensity is preserved. The initial rise of the fundamental intensity, which occurs in the range 1.0 〉 bII ≥ 0.64, is accounted for by a close examination of the overlap pattern of R(1)HI and, R(1)0II at the relevant bII values: the shifted and extended peak profile of R(1)0II admits the high-angle tail of R(1)HI and rejects the low-angle flank of R(1)HI, and the gain due to the former more than compensates for the loss caused by the latter.
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    Diagrammes de poudres de l'iminostilbene, C14H11N, de l'iminodibenzyle, C14H13N, et de son derivé: le chloro-3 iminodibenzyle, C14H12ClN (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 649-649 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: X-ray powder data have been obtained for the three title compounds, fundamental members of a group of psychotropic drugs. For the first two compounds, the crystal structures of which have previously been solved [Reboul, Cristau, Soyfer & Estienne (1980). Acta Cryst. B36, 2683–2688; Reboul, Cristau, Estienne & Astier, (1980). Acta Cryst. B36, 2108–2112], the powder patterns were indexed on the basis of an orthorhombic unit cell with the lattice constants a = 8.22 (1), b = 20.40 (1), c = 6.03 (1) Å, space group Pnma for C14H11N; C14H13N is monoclinic, space group P21/c with a = 11.60 (1), b = 11.27 (1), c = 20.05 (1) Å, and β = 126.5 (1)°. C14H12ClN is also monoclinic, P21 or P21/m, with Z = 2, a = 11.68 (1), b = 8.08 (1), c = 12.13 (1) Å and β = 95.6 (1)°. The JCPDS Diffraction File Nos. for these compounds are: C14H11N 34-1995; C14H13N 34-1996, C14H12ClN 34-1994.
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    Measurement of the atomic coordinates of a Kendrew-type model from two projections (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 658-659 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    A computer program for the deconvolution of X-ray diffraction profiles with the composite of Pearson type VII functions (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 653-657 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program for the deconvolution of X-ray diffraction profiles has been written in Fortran IV. The deconvolution procedure is based on the minimization of the difference between the observed data function and a calculated function, where the latter is the convolution of the instrumental function and the true data function approximated with an analytical expression. The composite of two asymmetric Pearson type VII functions was assumed to represent the true data function, and the simplex method was used for the minimization. The stability of convergence and the influences of the truncation effect and the step width of intensity data on the deconvoluted profile were examined. The computer program can deconvolute the X-ray diffraction profile in moderate computation time without generating spurious oscillations due to the truncation effect.
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  • 149
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    Single-peak methods for Fourier analysis of peak shapes (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 22-26 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Several procedures for Fourier analysis of single diffraction peaks for microstrains and mosaic sizes are compared. A simple new method works well, especially when the size distribution is broad, and/or when the strains vary in an unusual manner.
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    A computer program for unique indexing of electron diffraction patterns (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 39-42 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program for unambiguous and consistent indexing of a series of single-crystal diffraction patterns is discussed which allows determination of the unit triangle and therefore tilting of the specimen into any special orientation even if no Kikuchi patterns can be observed.
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    The peak in neutron powder diffraction (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 47-54 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: For the application of Rietveld profile analysis to neutron powder diffraction data a precise knowledge of the peak profile, in both shape and position, is required. The method now in use employs a Gaussian-shaped profile with a semi-empirical asymmetry correction for low-angle peaks. The integrated intensity is taken to be proportional to the classical Lorentz factor calculated for the X-ray case. In this paper an exact expression is given for the peak profile based upon the geometrical dimensions of the diffractometer. It is shown that the asymmetry of observed peaks is well reproduced by this expression. The angular displacement of the experimental profile with respect to the nominal Bragg angle value is larger than expected. Values for the correction to the classical Lorentz factor for the integrated intensity are given. The exact peak profile expression has been incorporated into a Rietveld profile analysis refinement program.
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    Scaling and phase-difference determination in solvent contrast variation experiments (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 77-84 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In the solvent contrast variation technique, the structure factor is a linear function of contrast, and the intensity is therefore a parabolic function of contrast. A method has been developed which scales together data measured at different contrasts on different samples. Once the data are scaled, structure-factor amplitudes or intensities for any other contrast can be obtained by inter- (or extra-)polation. The magnitude of the relative phase change between contrast, an important piece of phasing information in single-crystal studies, can be determined.
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    X-ray study on the successive phase transition in cholesteryl 2,2,3,3-tetrafluoropionate (CTFP) (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 100-102 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: These studies on phase transition and crystal structure in a single-crystal of CTFP by X-ray diffraction in the temperature range 88 to 293 K show that CTFP undergoes successive phase transitions at about 123, 143 and 178 K and that the existence of another phase transition at about 168 K is possible. In the lowest-temperature phase, various commensurate and incommensurate structures were found. The appearance of the structure depends on storage duration at 293 K after undergoing the successive phase transitions. The original crystal, just crystallized from acetone solution, showed commensurate structure of which the modulation wave number, δ, is 0.20. The samples stored for a week and a month were both incommensurate. However, the crystals stored for two months were commensurate (δ = 0.20). Therefore, the storage duration of two months is a relaxation time long enough to recover the genuine structure. In the other temperature phases below 178 K, the crystals were all incommensurate. Consequently, the complicated structural change of CTFP crystals during storage is now well understood as a thermal relaxation phenomenon.
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    A device for the easy centering of a Gandolfi X-ray diffraction camera (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 120-121 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Appreciation of Co-editor's Service (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 122-122 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Comparaison de precédures d'evaluation des distortions et de la taille des cristallites par analyse des raies de diffraction des rayons X (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 131-133 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A procedure based on successive convolution operations is developed and associated with the Warren–Averbach method. Applications to cold-worked lithium fluoride samples are presented. The microstrain results are compared with those obtained in the classical way including the use of the direct deconvolution method. It is shown experimentally that the difficulties involved in the deconvolution operation have no significant effect on the evaluation of microstrains by the classical X-ray line-profile analysis.
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    Intensity of secondary scattering of X-rays by non-crystalline materials. Transmission gemoetry with an incident-beam monochromator (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 134-139 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Equations are derived for the intensity ratio R of secondary to primary scattering in the fixed-sample transmission case with an incident-beam monochromator crystal that results in a polarization ratio Km for unpolarized incident radiation. A table allows R to be calculated for Km = 0. This table, along with the one for Km = 1 published previously for the case without a monochromator, allows R to be estimated before an experiment is done and thus an optimum experiment can be designed. A simple computer program allows direct calculation of R once experimental data are obtained if it is desired to avoid interpolation. Determination of R involves some approximation, but the values obtained are sufficiently accurate for most purposes. However, R can be improved using exact equations, if desired. If synchrotron radiation polarized normal to the plane of scattering of the monochromator is used, R does not depend on Km, and the value of R for Km = 0 applies despite the true value of Km. As is expected from symmetry considerations, R is independent of Km in the small-angle scattering limit.
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    A new linear position-sensitive scintillation detector for neutron powder diffractometry (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 159-166 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A new linear position-sensitive scintillation detector has been developed and installed on a neutron powder diffractometer. The physical properties of this detector are described; test powder diffractograms are presented. The special advantages of this detector for neutron powder diffractometry are discussed: high detection efficiency also in the region of short wavelengths (75% for λ = 1.3 Å), good spatial resolution (FWHM = 2.5 mm), and high data-point density (Δ2θ = 0.02°). Special emphasis is placed on peak-profile analysis for the powder diffraction patterns. Examples for position and intensity separation of overlapping reflections are presented.
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    The formation of double-polytype regions in ZnS crystals (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 167-171 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A 3 mm long double-polytype region was found in a ZnS needle. The region consists of a fine mixture of 47% of each of the polytypes 20L(5753) and 60R(5537)3 and about 6% of the polytype 60R(511553)3. The latter polytype is assumed to be the parent polytype transforming into the two others. It is the first time that traces of the parent polytype have been found in a double-polytype region. The formation mechanism of double-polytype regions is explained as a two-stage transformation process: expansion of grown-in stacking faults taking place at temperatures just below the hexagonal-to-cubic transition temperature, followed by a sudden formation and expansion of stacking faults at a lower temperature. It is suggested that a similar mechanism operates in the formation of single polytype regions and disordered ones.
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    A proposal for a highly efficient double-crystal monochromator for thermal neutrons (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 189-195 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The optimum parameters and properties of a new type of neutron monochromator based on elastically bent silicon single crystals are theoretically evaluated. The use of a fully asymmetrical geometry permits the achievement of rocking-curve widths exceeding 20' in the incident beam. The associated effect of the reflected-beam widening is compensated for by the second crystal in the parallel (1,−1) setting in opposite geometry. Reflectivity calculations indicate that this double-crystal system might be compared with the best single-crystal mosaic monochromators. Besides the easy control of the effective mosaicity and the corresponding integrated reflectivity by variation of the bending radius, a further advantage of this system is its simultaneous action as a neutron filter improving the ratio of the thermal neutron signal to the background.
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    The reduction of radiation damage in protein crystals by polyethylene glycol (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 209-210 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A simple technique has been developed to lessen radiation damage of protein crystals grown from low-ionic strength solution. The technique consists of replacing the mother liquor with solutions containing 10–20% of polyethylene glycol 4000 or 20000.
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    Crystal data for p-dichlorobenzene, p-dibromobenzene and their mixed crystals at 293 K (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 210-211 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The powder data at 293 K of p-dichlorobenzene (pDCB), C6H4Cl2, p-dibromobenzene (pDBB), C6H4Br2, and of their mixed crystals [pDCB]x [pDBB](1−x) are reported. Their thermal stability at 293 K is given. They are all isomorphous, monoclinic, P21/a with Z = 2. a = 14.792 (6), b = 5.839 (2), c = 4.036 (2) Å, β = 112.52 (4)°, V = 322.0 (5) Å3, Dx = 1.516 Mg m−3 for pDCB; a = 15.487 (2), b = 5.836 (2), c = 4.108 (1) Å, β = 112.74 (1), V = 342.5 (3) Å3, Dx = 2.289 Mg m−3 for pDBB; a = 14.893 (10), b = 5.837 (7), c = 4.046 (3) Å, β = 112.48 (5)°, V = 325.1 (9) Å3, Dx = 1.592 Mg m−3 for [pDCB]0.90[pDBB]0.10; a = 14.942 (5), b = 5.840 (2), c = 4.048 (1) Å, β = 112.53 (3)°, V = 326.3 (4) Å3, Dx = 1.677 Mg m−3 for [pDCB]0.80 [pDBB]0.20; a = 15.018 (4), b = 5.846 (1), c = 4.061 (1) Å, β = 112.50 (2)°, V = 329.4 (3) Å3, Dx = 1.751 Mg m−3 for [pDCB]0.70 [pDBB]0.30; a = 15.138 (11), b = 5.843 (3), c = 4.067 (3) Å3, β = 112.57 (8)°, V = 332.2 (8) Å3, Dx = 1.825 Mg m−3 for [pDCB]0.60 [pDBB]0.40; a = 15.247 (6), b = 5.842 (2), c = 4.081 (2) Å, β = 112.66 (5)°, V = 335.4 (5) Å3, Dx = 1.896 Mg m−3 for [pDCB]0.50 [pDBB]0.50; a = 15.300 (5), b = 5.838 (1), c = 4.081 (1) Å, β = 112.54 (4)°, V = 336.7 (3) Å3, Dx = 1.976 Mg m−3 for [pDCB]0.40 [pDBB]0.60; a = 15.373 (4), b = 5.842 (1), c = 4.094 (1) Å, β = 112.64 (3), V = 339.3 (3) Å3, Dx = 2.048 Mg m−3 for [pDCB]0.30 [pDBB]0.70; a = 15.410 (7), b = 5.838 (4), c = 4.098 (2) Å, β = 112.65 (3)°, V = 340.2 (6) Å3, Dx = 2.129 Mg m−3 for [pDCB]0.20 [pDBB]0.80; and a = 15.450 (3), b = 5.838 (1), c = 4.103 (1) Å, β = 112.69 (1)°, V = 341.4 (2) Å3, Dx = 2.208 Mg m−3 for [pDCB]0.10 [pDBB]0.90. The JCPDS Diffraction File Nos. are: 34-1987 for pDCB; 34-1985 for pDBB; 34-1986 for [pDCB]0.50 [pDBB]0.50.
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    A procedure for search/match analysis of X-ray powder diffraction patterns using compact data bases (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 212-214 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A microcomputer-based method has been developed for rapid search/match analysis of X-ray diffraction patterns from compound mixtures with user-assembled data bases for specific sample types, e.g. air pollutants, asbestiform minerals, mineral sands and coal ash. Accidental coincidences between stored and measured patterns are largely eliminated using status parameters which are assigned to each data base and measured line. Scaling factors determined for each of the identified compounds afford calculation of relative concentration values. The list of unassigned lines is presented for subsequent analysis with other compact data bases or using more complex search/match methods.
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    Crystallographers (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 217-218 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Use of synchrotron radiation sources for X-ray diffraction topography of polytypic structures (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 231-237 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The potential of synchrotron radiation sources (SRS) for the topography of polytypic structures has been assessed. Thus it has been found that the white radiation and low divergence characteristics of the SRS are uniquely suitable for accommodating the complications of mixed polytypes, heavily distorted crystals and edge-reflection topography. Computer aids are particularly important for separating contributions from mixed polytype crystals. All these techniques are illustrated in this paper using silicon carbide as a prototype polytypic crystal.
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    OMITMAP: An electron density map suitable for the examination of errors in a macromolecular model (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 244-248 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A single-stage computer procedure to calculate an electron density map suitable to detect errors in a tentative macromolecular model has been developed. In this procedure, an atom of the tentative model does not contribute to the phases used to calculate electron density values at or near its current position, that is within the region containing it and a neighborhood surrounding that region. In this way, the phases used to calculate electron density values within a region are not biased by the model atoms contained within that region or its neighborhood. The number of atoms which are omitted for a given region is maintained at a small fraction of the total structure so that the phases used to calculate electron density values may still be a good approximation to the phases of the complete structure. The procedure was used to improve the model of the Fab portion of the mouse galactan-binding immunoglobulin J539 (IgA2, κ), which contains 431 residues.
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    Refraction corrections to the diffractometer angles of centered reflections from extended-face single crystals (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 247-252 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The effect of refraction on the observed diffractometer angles θr, ωr and χr of a centered reflection is discussed for general asymmetric reflection from a finitely absorbing extended-face crystal. Formulae are presented for θr, ωr and χr for symmetric reflection and for θr and ωr for the two extreme positions of asymmetric reflection in terms of the angles calculated assuming that refraction can be neglected.
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    Complete determination of subgrain misorientation by an X-ray topographic method (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 265-269 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A modification of the Berg-Barrett X-ray topographic method was developed which enables measurement of all three misorientation parameters of a general subgrain boundary. The described method is based on the evaluation of three topographs of a single, arbitrarily oriented crystal surface taken by symmetric zero-layer reflections. In practical tests performed on an as-grown Fe–3 Wt% Si single crystal, relative accuracy of 10% and angular sensitivity better than 1′ were achieved.
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    An interactive graphics system for comparing the model building of macromolecules (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 274-279 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An interactive graphics program is described for use with the Evans & Sutherland Picture System 2 which is suitable for the comparison and refinement of protein structures. Several protein molecules and electron density maps can be viewed simultaneously, while great flexibility exists in creating, modifying and manipulating the picture on the screen. As the program is file oriented, it can be run on a small computer system with only 32 K memory.
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    Anomalous thermal expansion of silver gallium telluride (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 281-284 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A precise X-ray determination of the lattice parameters of silver gallium telluride, AgGaTe2, has been made in the temperature range 301 to 667 K with a Unicam 190 mm high-temperature powder camera. The data have been used to evaluate the coefficients of thermal expansion, α⊥ and α\parallel, at various temperatures. It has been observed that the `c' parameter decreases while the `a' parameter increases with increasing temperature as in the case of AgGaSe2 and AgGaS2, which also have a chalcopyrite-type structure. The magnitudes of both α⊥ and α\parallel increase non-linearly with increasing temperature.
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    X-ray extinction contrast in deformed single crystals (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 285-290 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Berg–Barrett topography gives information on large-scale dislocation distribution in deformed single crystals. The Burgers vectors are determined by disappearance of the dark `extinction contrast'. This contrast cannot be extinguished by any single diffracting condition when different types of non-coplanar Burgers vectors are present simultaneously; complementary information by electron transmission microscopy agrees well with this inference. These general remarks are illustrated by some examples on deformed single crystals of α-Al2O3, (Al2O3)1.8MgO, NaCl and Cu2O.
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    Diffraction by layer structures containing different kinds of layers and stacking faults (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 300-304 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A description is given of a mathematical formalism which allows the study of diffraction by stacks which contain, simultaneously or not, (i) layers of different kinds, (ii) different translations or rotations between layers and (iii) different thicknesses. The formalism allows the calculation of intensities for all the hkl reflections or (h,k) reciprocal rods, and not just the 00l reflections. It accounts for an Sth-neighbour interaction (S≥1).
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    A pilot study of the use and unfocused monochromatic radiation from a storage ring in powder diffraction (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 315-320 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The results of a trial powder diffraction experiment on the ADONE storage ring at the Frascati National Laboratories (Italy) are described. A (220) channel-cut Si crystal was used to provide a monochromatic beam and it was demonstrated that Debye–Scherrer photographs could be obtained in several hours. It was also shown that very high resolution can be obtained simply by increasing the camera dimensions. Finally, it is shown that with the higher fluxes of the SRS at the Daresbury Laboratory (England) very fast exposures will be possible without the need for focusing.
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    Modulated structure of iron–carbon martensite studied by electron microscopy and diffraction (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 329-336 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Satellite spots appear around every fundamental spot in electron diffraction patterns of iron-carbon martensite (α′) tempered in a temperature range from 273 to 363 K. High-resolution electron microscopic observations show that they are due to the formation of a modulated structure, in which interstitial carbon atom clusters smaller than 10 Å are distributed randomly in a plane nearly parallel to (102)α′, with inter-cluster distance of 10–20 Å and such carbon-rich planar regions are spaced periodically with intervals of 10–20 Å, depending on the carbon content of the martensite. A structure analysis was made by measuring the satellite spot intensity of the electron diffraction patterns, and the displacements of atoms from their average positions in martensite were determined. The result supports the above cluster model for the modulated structure.
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    Crystal data for the double oxides MSbO4 (M=Cr, Fe) (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 348-349 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: MSbO4, (M = Cr, Fe) are tetragonal, rutile-type compounds, P42/mnm (No. 136); Z = 1. M and Sb are randomly distributed in 2(a) positions and O in 4(f). For CrSbO4, Dm = 5.31, Dx = 5.35 Mg m−1, a = 4.5899 (2), c = 3.0525 (2) Å, U = 64.307 (8) Å3, x = 0.318, R = 4.6; Cr and Sb are coordinated with two O atoms at 2.064 and four O atoms at 1.930 Å.
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    The fabrication of a dual-element X-ray divergent-beam target (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 352-353 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    World Directory of Crystallographers, Sixth Edition (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 354-354 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 178
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    Laser crystals edited by A. A. Kaminskii (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 355-356 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 179
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    A Voigtian as profile shape function in Rietveld refinement (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 352-357 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A modification of the Rietveld refinement program is introduced by replacing the Gaussian profile function with a Voigtian. The performance of the program is tested by an application to simulated and measured diffraction patterns of NaTaO3, and excellent results are obtained when the tails of the reflections are included at distances 10 to 20 times the half-width of the reflections. Comparison between Gaussian and Voigtian refinements show large differences in the thermal parameters. This is due to the high level of background that is assumed in the Gaussian refinement to compensate for the lack of tail overlap. Application of the Voigtian refinement to the measured pattern of Ni yields a thermal parameter that is close to the literature values, while the Gaussian analysis gives a value which is 35% too large. The isotropic temperature factors of the room-temperature structure of NaTaO3, respectively, drop down to the values B(Ta) = 0.09(2), B(Na) = 1.21(3), B(O1) = 0.59(3) and B(O2) = 0.61(3) Å2, when the Voigtian analysis with a proper background is carried out. The role of background in powder pattern refinement is discussed, and it is suggested that a calculation of the average TDS should be included in the refinement.
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    A segment description for the unique set of reflections in non-centrosymmetric crystal classes (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 361-362 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The segment description of the unique set of reflections of Gabe [In Crystallographic Computing, edited by F.R. Ahmed. Copenhagen: Munksgaard (1969)] and Le Page & Gabe [J. Appl. Cryst. (1979). 12, 464–466] has been extended to the non-centrosymmetric crystal classes. To the reflections generated by the unique set of the Laue group are added the anti-reflections generated by a set of anti-segments. These anti-segments are defined by the same lattice rows as those of the corresponding Laue group but their origins are shifted to avoid generating anti-reflections in any centrosymmetric section of reciprocal space.
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    Some aspects of the X-ray structural characterization of (Ga1−xAlxAs)n1(GaAs)n2/GaAs(001) superlattices: erratum (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 362-362 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In the paper by Kervarec, Baudet, Caulet, Auvrey, Emery & Regreny [J. Appl. Cryst. (1984). 17, 196–205], an error has been introduced. On page 202, right-hand column, the second paragraph should read: The uneven surfaces of the interfaces can be taken into account by assuming that the SL is made of a juxtaposition of perfect crystallites of the same composition x whose period varies between the extreme values of 2n1d1 + 2n2d2. In this hypothesis, the experimental diagram is the sum of the X-ray diagrams given by each crystallite; the value of n1 + n2 deduced from such a diagram is an average value in the sample zone analyzed, therefore most of the time not integer.
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  • 182
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    An enhanced interactive PLUTO78 for molecular display (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 366-368 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The well known molecular drawing program, PLUTO78, has been made more widely available in the UK by mounting it on the minicomputers of the Joint Academic Network (JANET) wide-area network. Enhancements include interaction, faster plotting, use of colour and simulated half tone, easy access to centrally maintained high-quality-output devices, and the provision of comprehensive documentation in the form of on-line help and a user manual.
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    Recommendations of the Ad hoc committee on criteria for publication of charge density studies (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 369-369 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 184
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    The use of silicones in protein crystallizations involving single or multiple growth cycles (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 371-371 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 185
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    The 50th anniversary of the pepsin X-ray photograph (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 372-373 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 186
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    Notes and News (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 373-374 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 187
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    A theoretical treatment of the Ge [440, \overline{2}20] monolithic monochromator (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 375-384 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The calculated intensities of the X-ray beam behind the exit surface of the Ge [440, {\bar 2}20] dispersive monolithic monochromator for Co Kα1 radiation are presented. The reflections 440 and {\bar 2}20 resulting from Ge {000, 440, 260, {\bar 2}20} coplanar four-beam diffraction were taken into account and the influence of the π/2 reflection 260 is discussed. The four-surface arrangement of Ge [440, {\bar 2}20] providing the resultant beam parallel to the incident beam is considered. For comparison Ge [440, {\bar 2}20] in the two-beam approximation is solved. The obtained results demonstrate that the four-beam basis of diffraction affects the resultant beam. The quality of the X-ray beam evaluated behind the examined monochromators also provided the conditions for the use of such monochromators as wavelength standards.
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  • 188
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    Crystal data for the oxidation product of bis(2,2'-bipyridyl)copper(I) perchlorate in nitroalkanes (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 475-477 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Single crystals of [Cu(bpy)2NO2]ClO4, [Cu(C10H8N2)2NO2]ClO4, C20H16CuN5O2.ClO4, with space group P21/c, were grown from the reacting mixture of bis(2,2′-bipyridyl)copper(I) perchlorate with molecular oxygen in nitroalkanes. The unit-cell parameters are a = 10.83 (2), b = 12.51 (1), c = 17.04 (1) Å, β = 112.0 (2)°, Z = 4, Dm = 1.62 (1) Mg m−3.
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  • 189
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    Crystal data for the decavanadates of 2,4-, 3,4-, and 3,5- dimethylpyridine and 2,4,6-trimethylpyridine (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 472-473 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Indexed powder patterns of four monoclinic compounds of general formula (BH)3H3V10O28 .xH2O, where x = 1-2.5 and B = 2,4-dimethylpyridine (J8), (C7H10N)3H3V10O28.1.0H2O, 3,4-dimethylpyridine (J10), (C7H10N)3H3V10O28.1.0H2O, 3,5-dimethylpyridine (J11), (C7H10N)3H3V10O28.2.5H2O, and 2,4,6-trimethylpyridine (J12), (C8H12N)3H3V10O28.1.0H2O are given. The cell dimensions of the unit cells with two molecules are: J8 a = 18.360 (2), b = 10.438 (2), c = 13.503 (2) Å, β = 95.99 (1)°; J10 a = 12.538 (3), b = 13.634 (5), c = 16.662 (5) Å, β = 111.82 (2)°; J11 a = 19.483 (5), b = 10.711 (2), c = 13.020 (4) Å, β = 101.52 (2)°; J12 a = 12.776 (3), b = 22.470 (4), c = 11.790 (3) Å, β = 91.54 (1)°.
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    The XIIth Congress of the IUCr, Ottawa, August 1981. An informal report (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 487-489 
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    Crystallographers (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 490-490 
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    Notes and News (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 491-492 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    High-resolution time-of-flight powder diffractometer at the ZING-P'' pulsed neutron source (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 27-34 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A high-resolution time-of-flight powder diffractometer has been operated at Argonne's ZING-P′ pulsed neutron source for over 2½ years. The diffractometer achieves Δd/d≤ 3 × 10−3 over a broad range of plane spacings. Even though the flux at the sample position is comparatively low due to the 18.37 m incident flight path, count rates competitive with typical two-axis diffractometers are achieved because of large detector areas. A Rietveld refinement of data for a standard Al2O3 sample gives results as good as or better than those obtained with the best two-axis diffractometers.
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    Polycrystal scattering topography (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 48-54 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The concept of X-ray diffraction topography, which has been ordinarily applied to single crystals, has been extended to the observation of polycrystals and amorphous materials. This new method utilizes X-rays scattered elastically or inelastically from a specimen to observe polycrystals, and is called polycrystal scattering topography (PST). The principle and some PST techniques are described. The discussion is further extended to the potentiality of PST and an experimental method with synchrotron radiation. In order to demonstrate the capability of this method, several techniques of PST have been applied to metallurgical problems. It has been found that the PST provides a helpful tool in studying polycrystals in which neither X-ray radiography nor X-ray diffraction topography would be helpful.
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  • 195
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    Two-dimensional antiphase structure of Au4Mg studied by high-voltage–high-resolution electron microscopy (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 65-71 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A new structure model of Au4Mg is proposed for the long-period superstructure which exists in the Au–Mg alloys with 16–22 at.% Mg at 570–470 K and gives electron diffraction patterns of the two-dimensional antiphase structure of Cu3Pd-type (2d–Cu3Pd), with the aid of high-resolution structure images taken with the 1000 kV electron microscope. The superlattice has monoclinic symmetry with the space group P21/m (No. 11), and the lattice parameters are A = 5a, B = b, C = 4c and β = 90°, where a(= b) and c(∼a) are those of the fundamental face-centred cell. The structure can be described as the two-dimensional antiphase structure having the first- and second-kind boundaries parallel to (001) and (100), respectively, and the domain size of 2.5a × b × 2c. Nearest-neighbour Mg atom pairs are not formed across the second-kind boundaries in this structure, in contrast with the ideal 2d-Cu3Pd-type structure.
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    A multi-channel solid-state detector (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 89-93 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A five-channel solid-state detector of Si(Li) type has been made together with the necessary data-collecting system. Its characteristics and a preliminary application on the intensity measurements and on the anomalous scattering near the Ga K edge of GaP as a function of X-ray energy are described.
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    Equipping a three-circle single-crystal diffractometer with an Si(Li) solid-state detector and a low-temperature cryostat (80 K) to measure X-ray diffuse intensity (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 94-97 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A diffractometer specifically built for X-ray diffuse intensity measurements is described. The design for a low-temperature cryostat allowing measurements between 80 and 300 K with the sample under vacuum, the use of an Si(Li) solid-state detector, the design of the alignment procedure and the automation are presented.
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  • 198
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    Crystal data for lanthanum chromate(V) (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 102-103 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Abstract LaCrO4 crystallizes in the monoclinic monazite-type structure, space group P21/n; lattice parameters and powder diffraction data are reported.
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  • 199
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    Crystal data for the decavanadates of pyridine, 2-ethlpyridine and 3-ethylpyridine (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 104-105 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Indexed powder patterns of three monoclinic compounds of general formula (BH)3H3V10O28.xH2O, where x = 0.5–1 and B = pyridine (J1), 2-ethylpyridine (J5) and 3-ethylpyridine (J6) are given. The lattice parameters of the unit cells with two molecules are: J1, (C5H5NH)3H3V10O28.0.5H2O, a = 18.567 (1), b = 10.428 (1), c = 11.876 (1) Å, β = 94.67 (1)°; J5, (C7H9NH)3H3V10O28.0.5H2O, a = 8.314 (2), b = 12.094 (3), c = 22.415 (5) Å, β = 93.13 (3)°; J6, (C7H9NH)3H3V10O28.1.0H2O, a = 6.872 (1), b = 11.886 (2), c = 22.643 (4) Å, β = 91.31 (2)°.
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    Crystal data for deacetylpaniculine (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 112-114 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The title compound is a natural alkaloid that crystallizes in the monoclinic system (possible space groups: P21 and P21/m). The lattice constants are a = 14.228(3), b = 15.966(5), c = 14.509(4) Å and β = 97.04(2)°. Indexed powder data are given.
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