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  • Articles  (4,817)
  • Cell Press  (2,518)
  • International Union of Crystallography (IUCr)
  • 2010-2014
  • 1980-1984  (4,817)
  • 1982  (2,828)
  • 1981  (1,989)
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  • Articles  (4,817)
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Publisher
Years
  • 2010-2014
  • 1980-1984  (4,817)
Year
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  • 1
    Electronic Resource
    Electronic Resource
    Design criteria for a laboratory EXAFS facility (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 3-7 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: There has recently been an increased amount of interest in laboratory equipment for extended X-ray absorption fine-structure (EXAFS) measurements. In an earlier paper a facility for performing such measurements easily in a few hours was described in some detail. In this paper, further development of the techniques is reported. The use of high-power rotating-anode X-ray generator, the design of an X-ray curved-crystal spectrometer, the factors governing the proper choice of monochromator crystals and the design of fast-counting detectors and electronics are discussed. In addition, it is shown how errors caused by characteristic lines in the spectrum can be eliminated by use of a flux stabilization circuit.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008571
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  • 2
    Electronic Resource
    Electronic Resource
    Neutron photographic measurements of protein single-crystal reflections (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 24-27 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Photographic neutron intensity measurements on a 2 mm3 single-crystal of triclinic lysozyme are compared with conventional neutron diffractometer data. The reflections were recorded with the oscillation technique. The structure factors were derived from the optical densities scanned by an automatic microdensitometer and processed by computer programs. A statistical analysis shows that the photographic data are of about the same accuracy as recently collected diffractometer data. For the same flux and crystal volume the data collection time is reduced by up to two orders of magnitude.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008601
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  • 3
    Electronic Resource
    Electronic Resource
    A device for accurate single-crystal X-ray diffraction investigations at non-ambient temperatures: 83–1120 K (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 43-50 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A device is described which uses liquid nitrogen to generate a cold or hot gas stream which is blown directly onto the crystal mounted on an X-ray diffractometer. With a specially constructed high-vacuum (〈 1.3 × 10–5 Pa) jacketed silica Dewar tube, it can operate between 83 and 1120 K with a stability over long time periods of ± ¼ K below and ± 1 K above ambient temperature. In the latter case the short-time stability is ± ¼ K for hours. It gives an inert atmosphere at elevated temperatures and allows extensive data collection for the accurate determination of crystal structures. The evaporator, the automatic refilling system and the silica Dewar tube are described.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008649
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  • 4
    Electronic Resource
    Electronic Resource
    A fitting method for X-ray diffraction profiles (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 60-61 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A fitting method is proposed for X-ray diffraction profiles which requires only a small number of parameters.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008686
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  • 5
    Electronic Resource
    Electronic Resource
    Crystal data for two series of solid solutions: (RbxK1−x)MgCr2(VO4)3 and (TlxK1−x)MgCr2(VO4)3 (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 61-62 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Complete solid solution is observed amongst the compounds of the type M1MgCr2(VO4)3 (where M1 = K, Rb or Tl). The solid-solution series obtained show linear changes in peak positions and peak intensities in their X-ray diffraction patterns. The crystallographic behaviour with respect to the value of x for (RbxK1−xMgCr2(VO4)3 and (TlxK1−x)MgCr2(VO4)3 solid solutions is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008698
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  • 6
    Electronic Resource
    Electronic Resource
    Crystal data for ferric molybdate: Fe2(MoO4)3 (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 64-65 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Indexed powder patterns of the monoclinic phase, stable at room temperature, and of the orthorhombic phase, stable for T 〉 786 K, are given. The cell dimensions are: a = 15.737 (8), b = 9.231 (5), c = 18.224 (9) Å, β = 125.46 (2)° at 295 K; a = 9.330 (3), b = 12.868 (5), c = 9.242 (3) Å at 818.6 K. Linear equations describing the thermal expansion of the two phases of ferric molybdate are reported. To verify if ferric molybdate can incorporate excess MoO3, measurements on non-stoichiometric samples were also made: no evidence of the presence of excess MoO3 was found.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008716
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  • 7
    Electronic Resource
    Electronic Resource
    Crystal data for high-temperature As2O5 (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 68-68 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: High-temperature As2O5 at 768 ± 5 K is tetragonal with a = 8.577 (1), c = 4.637 (1) Å, V = 341.2 Å3, Z = 4, Dc = 4.475 Mg m−3. Indexed powder data are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988100873X
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  • 8
    Electronic Resource
    Electronic Resource
    Characteristics of a flat multiwire area detector for protein crystallography (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 85-93 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A flat, relatively thin (9 mm) xenon-filled multiwire proportional counter with two-dimensional, 2 μs delay line readout of a 270 × 300 mm active area has been developed for use as a position-sensitive area X-ray detector in the 8 keV energy region (Cu Kα) used in crystallographic structure work with large biological molecules. Its quantum detection efficiency for 8 keV X-ray photons is about 0.5, a value which is spatially uniform to within ± 2%. Its dead-time loss fraction at a typical data collection rate of 30000 photons s−1 is 12%. The detector has spatial resolution for X-rays of 0.6 mm FWHM in the horizontal direction and 2 mm, the anode wire spacing, in the vertical direction. The effects of parallax are found to be limited and do not seriously increase the apparent size of the diffracted beams. The position sensitivity of this detector is geometrically linear to within 0.5 mm across its active surface. Routine maintenance of the detector requires the attention of a skilled technician but is not time consuming. For four years, this detector has been used to measure millions of reflection intensities from crystals of many different proteins. The down time due to the detector has averaged less than four days per year, considerably less than the down time of other components of the data collection system. Four new protein structures have now been solved using data from this detector. Also, a considerable amount of data have been collected at higher resolution or at different temperatures with crystals of other proteins.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008856
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  • 9
    Electronic Resource
    Electronic Resource
    An assessment of instrumental parameters which control the accuracy of stress measurement using the X-ray diffractometer method (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 124-130 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The sources of systematic error in the X-ray diffractometer method of stress measurement are discussed. The errors in stress measurement and correction procedures for their elimination are described and quantitatively assessed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988100890X
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  • 10
    Electronic Resource
    Electronic Resource
    The use of cell and symmetry information for single-crystal orientation on diffractometers (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 117-123 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The diffraction aspect and rough cell parameters of a crystal to be studied are usually known before mounting the crystal on a diffractometer. Such data are used for orientation purposes in the method described. An ordered list of indexed 2θ values is calculated from which an optimum 2θ for a peak search is derived. The peaks found are centered, their possible unique indices are derived by comparison of the observed 2θ values with the calculated values. Two intense reflections with few indexing ambiguities are selected to define the crystal orientation. Their possible pairs of indices are found by considering combinations of indices related to the unique indices by the Laue-group symmetry and for which the calculated angle between the reciprocal vectors is comparable with the observed angle. Only the non-equivalent orientations defined by these initial pairs will be accepted. An initial pair will be rejected if the indices of both reflections can be transformed into those of a previously accepted pair by a single Laue-group symmetry operator of the first kind. The correct setting is usually obvious from a very short list of possible orientations and is retained. This simple approach has been programmed and treats all symmetries without branching of the logic. Rhombohedral crystals can be referred to hR or rP cells. The possible non-equivalent settings due to metric ambiguities, to pseudo-symmetry or to symmetry are exhaustively listed, but no symmetry-related setting is indicated. This scheme has automatically oriented more than 40 crystals from the seven crystal systems in 20–50 min each. The wavelength, the cell parameters and the short symbol of a valid space group in the correct diffraction aspect are the only input.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008893
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  • 11
    Electronic Resource
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    Neutron powder diffraction of forsterite, Mg2SiO4: a comparison with single-crystal investigations (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 137-139 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Neutron time-of-flight powder data have been collected for forsterite [Mg2SiO4; Pbnm (D162h, No. 62); Z = 4, a = 4.7534 (1), b = 10.1989 (2), c = 5.9813 (1) Å] with the ZING-P′ high-resolution diffractometer at Argonne National Laboratory. Forty-seven variables, including anisotropic temperature-factor coefficients, were refined with a profile-fitting procedure to R(profile) = 2.10% and R(Rietveld) = 3.53%. Positional and thermal parameters are in good agreement with those determined from recent X-ray and neutron single-crystal diffraction experiments. Results suggest that powder data can be used to obtain accurate positional parameters and reasonable temperature factors for moderately complex structures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008935
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  • 12
    Electronic Resource
    Electronic Resource
    Adaptation of a Kratky camera to use with a one-dimensional position-sensitive detector (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 139-141 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A Kratky small-angle X-ray camera was modified so as to allow the use of a one-dimensional (one-dimensional) position-sensitive detector (PSD) with it. The modification was designed in such a way that most of the calibrations, necessary for subsequent correction of the collected intensity data, can be performed with little alteration in the collimation geometry or the electronics settings. In particular, the calibration of the uniformity of detector efficiency can be performed by repeated vertical travel of the detector at a constant speed across a beam scattered from a sample.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008947
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  • 13
    Electronic Resource
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    XPKFIT: peak separation with arbitrary relations among the component peaks (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 145-148 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program for the separation of a composite peak into the components and the background has been written in Fortran. Each component is approximated by a function of the form y(x) = c [1 + ({{x - d}\over{e}})^{2}]^{-f}, where c, d, e and f are the parameters to be determined by a least-squares method. Arbitrary, known or assumed relations among the parameters of different components may be read in to reduce the number of independent parameters and save computation time or, in other cases, to offer a better chance of separating a complex composite peak by varying a subset of the parameters.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008984
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  • 14
    Electronic Resource
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    BLOKJE, a computer program to calculate the domain of an atom in a structure (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 151-153 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program has been written with the aim of calculating the domain of an atom in a structure. The domain may be limited by planes situated half-way between the atoms, or at a distance that takes into account the relative radii of the atoms. Data concerning this domain and the corresponding coordination polyhedron are computed and printed. Punched cards, to be used in a special plotting program, can also be produced. Three types of weighted coordination number are calculated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988100900X
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  • 15
    Electronic Resource
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    The use of continuous diffraction data as a phase constraint. I. One-dimensional theory (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 160-168 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Intensity can often be measured as a continuous function of scattering angle in diffraction from non-crystalline specimens. An analysis of the amount of information contained in one-dimensional continuous diffraction data is presented here. This analysis, based on the sampling theorem and the theory of entire functions, indicates that there is a limited but often rather large number of possible phase solutions to any given continuous intensity distribution. A refinement technique has been developed which allows phase solutions to be found that are consistent with the diffraction data and with other physical and chemical data. In favourable cases, when diffraction data is used in coordination with other kinds of data, there can be enough information in a diffraction pattern to identify a unique structural solution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881009060
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  • 16
    Electronic Resource
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    The small-angle neutron scattering spectrometer at the University of Missouri research reactor (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 370-382 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A small-angle neutron scattering (SANS) spectrometer has been constructed at the University of Missouri Research Reactor Facility (MURR). The design of the MURR–SANS is unusual in that the size of the reactor containment building constrains the flight path to be vertical. This is achieved by Bragg scattering upward through 90° from a set of slightly misaligned pyrolytic graphite crystals to provide a neutron beam at 4.75 Å with a wavelength spread of approximately 4.1%. The beam incident on the sample is defined by two matched variable apertures located either 3.0 or 4.5 m apart. The evacuated scattered flight path is designed with removable extensions to match the primary flight path in length. The instrument has an automatic sample handling capability provided by its own dedicated PDP 11/03 computer. The detector is a large assembly of commercially available linear 3He detectors as an economic alternative to a crossed-wire two-dimensional multi-detector. An array of 43 position-sensitive proportional counters, 24 in (609.6 mm) long and 0.5 in (12.7 mm) in diameter, using charge division gives a spatial resolution of 5 x 12.7 mm. The area-averaged detector efficiency is about 84% at a wavelength of 4.75 Å. The range of scattering vectors that can be measured is 0.005 〈 Q〈 0.15 Å−1. The instrument is well suited to a wide variety of experiments on specimens having characteristic dimensions between 20 and 500 Å. MURR–SANS is designed as a user-oriented facility which provides both reasonable resolution and intensity on sample at a modest cost, and forms part of a neutron scattering center.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881009631
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  • 17
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    A study of the ordered structures of the Au–Mn system by high-voltage–high-resolution electron microscopy. II. Two-dimensional antiphase structures based on the DO22 structure (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 392-400 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Two-dimensional antiphase domain structures existing in the composition range 20–23 at.% Mn were investigated by a high-resolution structure-imaging technique with a 1 MV electron microscope. The structures are based on the DO22 structure and consist of parallelogram-shaped domains containing 4 × 3 columns of Mn atoms and lozenge-shaped domains with 4 × 4 and 3 × 3 columns, and the domains are separated by two-dimensional antiphase boundaries parallel to the ({\bar 2}40) and (240) planes of the fundamental face-centred structure. The configuration of the domains changes delicately with a slight change of composition or annealing temperature, and the symmetry of the structure is lowered below about 670 K. The ideal structure models have compositions of about 22.7 at.% Mn. The images of about half of the specimen area of the 22.6 at.% Mn alloy annealed at 570 K do not correspond to these new structures, but bear a resemblance to the image expected from the two-dimensional antiphase structure proposed by Watanabe [J. Phys. Soc. Jpn (1960), 15, 1030–1040] for Au3Mn, which is based on the L12 structure and has boundaries parallel to the (100) and (010) planes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881009667
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  • 18
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    Comparison of two numerical methods for the integration of the Takagi–Taupin equations (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 432-436 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Two methods for the numerical resolution of the Takagi-Taupin equations are compared. It is shown that for a small integration step Taupin's [Acta Cryst. (1967), 23, 25–35] extension to two dimensions of the one-dimensional Runge–Kutta third-order method is more accurate than the algorithm of Authier, Malgrange & Tournarie [Acta Cryst. (1968), A24, 126–136] but, for a given precision, Authier, Malgrange & Tournarie's method is faster than Taupin's so the former will usually be preferred for numerical calculation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881009709
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  • 19
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    Dependence of cooling rate of SAXS spectra from a B2O3–PbO–Al2O3 glass (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 444-446 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The phase separation of an 80% B2O3–15% PbO–5% Al2O3 (weight %) glass after splat-cooling was studied by small-angle X-ray scattering. The wavenumber which receives maximal amplification and the scattering intensity corresponding to this wavenumber were determined as a function of the cooling rate of the glass. The experimental results qualitatively agree with the main features of previous calculations based on the linear theory of spinodal decomposition, but no quantitative agreement is obtained.
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    URL: http://dx.doi.org/10.1107/S0021889881009734
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  • 20
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    Phase assignment to diffraction patterns based on the analytic properties of scattered fields applied to the structure of nerve myelin (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 455-461 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An analysis of published X-ray diffraction data from nerve myelin is given based on the properties of analytic functions. Functions defined by a finite Fourier transform may be described by their distribution of zeros. This description allows a phase function to be determined from real data, which is unique in principle. A solution to the phase assignment is given and compared with corresponding published solutions derived by other methods. The strong measure of agreement for the phases of the first nine diffraction orders, and the stability of this agreement against the efforts of experimental error, leads to the conclusion that these phases are probably correct.
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    URL: http://dx.doi.org/10.1107/S002188988100976X
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  • 21
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    Crystal data for [2.1.2.1]paracyclophan C30H28 (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 465-465 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The powder data for [2.1.2.1]paracyclophan is reported. This compound is monoclinic with a = 21.44 (4), b = 17.22 (6), c = 9.70 (4) Å, γ = 141.30 (3)°, Z = 4.
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    URL: http://dx.doi.org/10.1107/S0021889881009795
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  • 22
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    Report of Executive Committee for 1980 (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 491-491 
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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/S002188988100993X
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  • 23
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    A method of determining cubic parameters suited to the conditions of high- and low-temperature powder diffractometry (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 5-14 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method of measuring accurate cubic lattice parameters is developed which is suited to the type of conditions encountered in high- and low-temperature powder diffractometry. This is based on the fact that the absolute Bragg angle of each line in an indexed cubic diffraction pattern can be determined from a knowledge of the differences in angles between lines. Accurate zero-angle alignment, therefore, is unnecessary. Furthermore, it is shown that the peak or centroid shift of the line profiles arising from the instrumental and physical aberrations can be determined directly from the measured angular data without assuming a specific angular dependence. In practice the accuracy of the method is of the order of 0.0002 Å for a lattice parameter of approximately 8 Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889882011273
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  • 24
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    Diffraction line profiles and Scherrer constants for materials with cylindrical crystallites (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 20-26 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Calculations of diffraction line profiles and Scherrer constants for crystallites whose external shape has cubic symmetry are extended to crystallites of cylindrical shape. The analysis includes the limiting cases of acicular crystals and disks and, to a reasonable degree of approximation in many cases, to hexagonal prisms. These shapes have applications in size determination for materials which form prismatic crystallites, particularly those which belong to the hexagonal system or have been derived from substances with this symmetry.
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    URL: http://dx.doi.org/10.1107/S0021889882011297
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    X-ray line profile analysis of deformed Al (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 35-38 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The Warren–Averbach profile analysis was modified to study the deformed state of Al. The X-ray diffraction effect of dislocations locating on cell boundaries may be treated as `size broadening', while that of dislocations inside cells is `strain broadening', which may be treated with Wilkens's theory. X-ray Debye profile measurement was performed on deformed, recovered and annealed samples of commercial pure Al. Some information concerning the dislocation glide systems and distribution as well as the differences between the deformed and recovered state were given by the Debye profile analysis. The results are in good agreement with those obtained by other authors, which prove the reliability and correctness of the method.
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    An improved EXAFS-function calculation procedure for materials with small interatomic separation (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 39-47 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The extended structure of the Pt L3 X-ray absorption edge for some platinum compounds was measured and Fourier inverted. It is shown that the way in which the contribution of the isolated atom is subtracted from the absorption spectrum may influence the shape of the first peak in the Fourier transform and possibly lead to erroneous structural interpretations concerning the first-neighbour shell of the absorbing atom. These errors are the more important the smaller the separation between the absorbing atom and its nearest neighbours. An improved method of subtraction of the isolated-atom absorption is proposed and checked.
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    Characterization of Brazilian high-ash coals by small-angle X-ray diffraction methods (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 251-254 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Changes in the microporosity of several types of Brazilian high-ash coals have been analyzed by small-angle X-ray scattering as a function of thermal treatment. Pore size, determined using Guinier plots, decreased following thermal treatment of the samples. The modification of porosity induced by thermal treatment was similar for high-ash and low-ash coals, from which it may be inferred that mineral content is not a determining factor in the process of pore formation. Internal surface area for the samples was calculated with SAXS data. A correlation is established between the internal surface area values obtained and the carbon content and heat-treatment temperatures of the samples.
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    Etude des composés à chaînes aliphatiques. I. Synthèse et caractérisation cristallographique des bis(n-alcanoates) de pipérazinium, 2[CxH2x−1O2−].[C4H12N22+] (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 279-281 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystal data for the series of piperazinium bis(n-alkanoates) of the type 2[CxH2x − 1O2−] [C4H12N22+] for x = 1 to 16 are presented. Most of these compounds have triclinic unit cells whose dimensions, obtained from single-crystal work, have been used to index their powder diagrams. The a ({\bar a} = 5.718 Å) and b ({\bar b} = 7.481 Å) cell dimensions remain nearly constant while the c dimension and the volume of the unit cell increase linearly with x, the number of carbon atoms in the alkanoate anion. Presumably the aliphatic sequence in the alkanoate anion adopts the fully extended conformation and lies in the bc plane and nearly along the c direction.
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    A simple procedure for fitting a backgound to a certain class of measured spectra (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 226-229 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A numerical procedure using orthogonal polynomials is used for extracting the background in measured spectra. An X-ray spectrum obtained with the energy-dispersive method is considered as an example.
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    Thermal expansion of α-HgI2 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 461-462 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Lattice-constant thermal expansions, Δa/a and Δc/c, have been measured on α-HgI2 single crystals from 293 K up to the red-to-yellow transition temperature. The curves Δa/a(T) and Δc/c(T) are linear. The thermal expansion coefficients are determined: α[100] = (1.0 ± 0.1) × 10−5 K−1 and α[001] = (4.6 ± 0.1) × 10−5 K−1. No evidence of a red-to-orange phase transition could be found.
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    Structural ordering in amorphous TbFe2 and YFe2 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 452-460 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Total neutron scattering data were collected on sputtered YFe2 at 298 K and TbFe2 at 423 K with a wavelength of 0.7 Å. The TbFe2 data were collected above the magnetic ordering temperature of 383 K. In addition, the elastic neutron scattering of TbFe2 was measured with the use of a pyrolytic graphite analyzer at a wavelength of 1.5 Å, and its total X-ray scattering was measured with Mo radiation and a silicon-lithium drifted detector. Experimental radial distribution functions, with statistical error limits, were calculated. Errors due to an incorrect background, scaling of the data and termination effects were minimized. The scale and shape of the experimental background and the coordination numbers, internuclear distances and disorder parameters, for the first six coordination spheres, have been determined. The contribution of paramagnetic inelastic scattering from TbFe2 to the total neutron scattering is quite appreciable. The shape of the background scattering, which goes through a maximum, is indicative of residual coherence and suggests short-range magnetic ordering where neighboring atom spins are aligned. These effects are not observed in YFe2, nor in the elastic TbFe2 data. The metallic glasses have a structural topology which is quite different from that found in their crystalline analogues. The transition-metal substructure, consisting of corner-sharing tetrahedra, is the only aspect of the crystalline topology preserved in the amorphous phase. The structural parameters suggest a tendency of the rare-earth atoms to cluster, thereby decreasing the number of Fe nearest neighbors relative to the crystalline structure.
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    A new CeO2 form obtained as oxidation product of CeO2+SiO2-doped hot-pressed silicon nitride (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 55-59 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: By using data from the Wallace & Ward [J. Appl. Cryst. (1975), 8, 255–260] cylindrical texture camera integrated with other traditional X-ray powder film techniques for very low and very high diffraction angles, a new high-temperature modification of CeO2 was identified and indexed resulting in a trigonal or hexagonal unit cell with a = 8.36(2) and c = 10.42(2) Å, (axial ratio 1.264) and Z = 16. The new phase is an oxidation product of CeO2-doped hot-pressed silicon nitride. It can be quenched to room temperature under appropriate conditions. Its stability on reheating is strictly related to its interaction with the silicate phase.
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    A simple method for the determination of structure-factor phase relationships and crystal polarity using electron diffraction (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 60-64 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Multiple electron scattering between weak beams has been used as the basis for a simple method to determine the absolute polarity of some non-centrosymmetric crystals. For crystals with the sphalerite structure many orientations have been found in which small departures from centrosymmetry produce large effects on the convergent-beam diffraction patterns (microdiffraction). The effects are reasonably independent of thickness and so can be analyzed qualitatively without the use of computers.
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    A novel method for indexing multiple diffraction peaks (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 570-571 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A method is proposed for unambiguously indexing X-ray multiple diffraction patterns obtained with irregularly shaped crystals on a four-circle diffractometer. The method is derived from the orientation matrix together with the operation of crystal rotation. It is shown that this method facilitates the procedures in the experimental method for phase determination.
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    Crystal data for the fluoroalleghanyite series nMn2SiO4MnF2(1,n〈4) (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 574-576 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Unit-cell constants for synthetic fluoroalleghanyite compounds have been determined by the refinement of X-ray powder diffraction data. Manganese norbergite: Pbnm, a = 4.862(2), b = 10.797(3), c = 9.188(2) Å, U = 482.4(4) Å3, Z = 4; alleghanyite: P21/b, a = 4.871(2), b = 10.818(6), c = 8.206(5) Å, α = 108.58(5)°, U = 414.1(7) Å3, Z = 2; manganhumite: Pbnm, a = 4.888 (2), b = 10.712(2), c = 21.749(6), U = 1138.8(5) Å3, Z = 4; sonolite: P21/b, a = 4.889(1), b = 10.668(3), c = 14.239(5), α = 100.83(5)°, U = 731.9(5) Å3, Z = 2. The JCPDS Powder Diffraction File numbers are: for manganese norbergerite 33–1500; for alleghanyite 33–1499; for manganhumite 33–1498; for sonolite 33–1497.
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    A systematic method for aligning double-focusing mirrors (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 577-577 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes and News (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 577-578 
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    Mössbauer spectroscopy and its chemical applications edited by J. G. Stevens and G. K. Shenoy (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 579-579 
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    Neutron transmutation doped silicon edited by J. Guldberg (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 579-580 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Crystal data for a new family of phases, Li3Mg2XO6:X=Nb, Ta, Sb (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 116-119 
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    Notes: Three members of a new family of phases, Li3Mg2XO6: X = Nb, Ta, Sb, have been prepared by solid-state reaction of MgO and Li3XO4. Unit-cell parameters of Li3Mg2TaO6 determined by electron diffraction and refined by X-ray powder diffraction are a = 8.883(2), b = 5.802(2), c = 17.437(6) Å, with space group Fddd; z = 8. Powder diffraction data of Li3Mg2NbO6 and Li3Mg2SbO6 were indexed by analogy with those of Li3Mg2TaO6 and unit-cell dimensions obtained by least-squares refinement: Li3Mg2NbO6 a = 8.552(2), b = 5.897(1), c = 17.721(5) Å; Li3Mg2SbO6 a = 8.614 (1), b = 5.908(1), c = 17.759(5) Å.
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    Etude cristallographique de la phase de transition M'' dans Al–8%Zn–1%Mg (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 590-593 
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    Notes: The structure of the transition phase M′ in AlZnMg alloys has been studied by Buerger X-ray precession photographs and transmission electron microscopy. The M′ phase, also called η′ or R, has a hexagonal or pseudo-hexagonal cell with a = 4.96, c = 14.03 Å. It is confirmed that M′ precipitates are hexagonal platelets with the following epitaxy: (00.1)M′//(111)Al and |10.0|M′//1{\bar 1}0|Al. It is shown that none of the known models of the unit cell accounts for the observed scattered intensities.
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    Accurate separation of X-ray α1–α2 doublets by the `substitution method' (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 602-604 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: An improved `substitution method' for the separation of X-ray diffraction α1−α2 doublets is based on the possibility of refining both the proportionality constant between the α1 and α2 contributions to the line intensity and the doublet separation expressed in terms of the diffraction angle or of a related variable in the reciprocal space. Optimization of these two parameters, with a proper evaluation of the error, clearly shows the statistical nature of the oscillations appearing on the high-angle side of the pure α1 component after correction; their elimination by polynomial smoothing can therefore be performed and a procedure is suggested for achieving this result. A computer program, based on these principles, has been written and tested in many practical cases.
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    Time-of-flight neutron small-angle scattering from a superconducting composite wire (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 611-614 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The precipitation behavior in the Ti–27at.%Nb–6at.%Ta–6at.%Zr alloy aged at 643 K was examined by means of time-of-flight neutron small-angle scattering. When the alloy was aged, fine-scale α precipitates appeared. During the precipitation process, each precipitate grew in size, but the total number of precipitates remained nearly constant up to 1 Ms of ageing. The increase of critical superconducting current density could be connected with increasing size of α precipitates. The specimen for the measurements consisted of a composite containing 3721 filaments in a copper matrix. The use of neutrons was shown to give great advantages for the investigation of precipitation phenomena.
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    Ultra-high-vacuum heating camera for in situ synchrotron radiation X-ray topographic studies: erratum (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 632-632 
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    Notes: The wrong original was used for Fig. 6(b) of Gastaldi, Jourdan, Marzo, Allasia & Jullien [J. Appl. Cryst. (1982), 15, 391–395]. The correct version of Fig. 6(b) is given. In Fig. 6(c) the growth time increases from right to left.
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    Crystal data for high-temperature dicalcium lead propionate, Ca2Pb(CH3CH2COO)6 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 635-636 
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    Notes: The high-temperature paraelectric phase of dicalcium lead propionate, DCLP, at 363 ± 5 K is tetragonal, with a = 12.574 (6), c = 17.403 (9) Å, V = 2751.4 Å3, Z = 4 and corresponds to the space group P41212 (or P43212). The thermal expansion curve shows the transition somewhere between 328 and 343 K.
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    Crystallographers (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 638-638 
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    Prices of Acta Crystallographica and Journal of Applied Crystallography (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 638-639 
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    Notes and News (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 639-639 
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    Current Crystallographic Books 1970 through 1981 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 640-676 
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    Examination of errors in the determination of phase boundary thickness by small-angle X-ray scattering (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 182-189 
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    Notes: The method of determining the thickness of a diffuse phase boundary with density profile governed by equilibrium conditions is proposed. It follows the well known procedure of analyzing the deviations from Porod's law. Errors in the obtained boundary thickness, owing to the statistical scatter in the intensity data and to the difficulty of separating the effect of density fluctuations within the phases, are examined. For this purpose, scattering curves are synthesized on the basis of a well defined model structure with known boundary thicknesses. These synthesized curves, when analyzed according to the proposed method, yield the correct boundary thickness under favorable conditions, but are also shown to lead to very erroneous results in some cases.
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    Experimental and computed HREM images of the structure and defects in gadolinium silicate (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 211-215 
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    Notes: Monoclinic Gd2SiO5 has been investigated by high-resolution electron microscopy (HREM) at 100 kV. Structure images are observed in the [100] and [001] projections and calculations of the image contrast using the multislice approximation are carried out to interpret the observations. For thin samples the image fit is improved by Fourier filtering of the observed images. For thicker samples the fit is found to be very sensitive to small tilt deviations of the zone axis to the electron beam. For defects observed in a fast-cooled specimen, a model in which Gd atoms replace Si atoms in segments along the (100) plane is proposed and tested by contrast calculations. These defects may be one of the reasons for deviations from stoichiometry as frequently observed in rare-earth silicates.
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    A low-temperature X-ray Weissenberg goniometer with closed-cycle cooling to about 28 K (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 241-244 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A low-temperature camera for single-crystal X-ray investigation between 28 and 350 K has been developed for a modified Weissenberg goniometer. Cooling is provided by a double-stage cryorefrigerator which is firmly attached to the low-temperature camera. Stranded copper cables ensure a flexible heat transfer between crystal and cold finger allowing a crystal rotation of 180°. Compared to the usual Weissenberg technique almost no further limitation is given on the accessible angular range of the scattered radiation.
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    Crystal powder data of MoGa5(CuS2)0.0556 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 248-248 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The X-ray powder data have been obtained for a new phase MoGa5(CuS2)0.0556. The powder patterns were indexed on the basis of a tetragonal body-centred unit cell with the lattice constants a = 12.872, c = 5.284 Å, c/a = 0.410, dm = 6.825(8), dx = 6.869 Mg m−3, Z = 8.
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    Commission on Journals. Chemical Formulae and Nomenclature (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 249-249 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Molecular Structures and Dimensions (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 250-250 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    The derivation of the axes of the conventional unit cell from the dimensions of the Buerger-reduced cell (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 255-259 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The identification of twofold axes is straightforward if the cell is based on three of the shortest lattice translations. The distribution of twofold axes in space fixes the lattice symmetry and most conventional cell edges. A program based on this approach has been written. It works for the seven cases with minimum branching of the algorithm.
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    On `spike' diffuse reflections in electron diffraction patterns of diamonds (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 266-274 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The commonest natural diamonds (classification type Ia) contain platelet defects on {100}, usually with mean diameters in the 20 to 100 nm range, which generate disorder diffuse X-ray reflections in the form of (100) spikes through reciprocal-lattice points. Corresponding spikes in electron diffraction patterns of diamonds, recorded with 100 and 120 kV electrons, have been investigated. It has been established that (100) spikes appear most strongly in electron diffraction patterns of diamonds very rich in platelets, and are absent in the case of platelet-free diamonds (types IIa and IIb). Spikes from diamonds containing relatively large platelets are sharper than those from diamonds containing very small platelets. Multiple scattering of electrons prevents measurement of the dependence of spike intensity upon diffraction order as can be done in the X-ray case. Some experiments with spike electron reflections have been performed that are impossible in the X-ray case. It has been shown that when the crystal volume sampled by the electron beam contains only one platelet, then the spike distribution reduces to a pattern containing only spikes normal to the platelet concerned. Also, dark-field weak-beam microscopy has been applied, by selecting one spike only in the diffraction pattern, to identify orientations of small platelets through the imaging of only those platelets normal to the spike selected.
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    Study of adsorption on powders by surface differential diffraction measurements. Argon on Co3O4 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 301-307 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The amplitude and phase of a wave scattered by an adsorbed layer can be deduced from the modifications of the Bragg peak of the powder by adsorption. The treatment of experimental data involves the interpretation of a function of the extra intensity detected and has the advantages of an integrated intensity method. Powders containing crystallites limited by several types of faces can be studied. The Co3O4 sample studied is limited only by (110) and (111) faces of respective areas 11 and 27 m2 g−1. The (111) planes terminating crystallites contain oxygen covering a layer of cobalt in octahedral sites. Other possible terminating layers are ruled out for (111) planes. The structures of the bidimensional layers of argon on (110) and (111) planes are determined.
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    The variance as a measure of line broadening: corrections for truncation, curvature and instrumental effects (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 315-322 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A correction for the unavoidable truncation of line profiles and an improved correction for the inherent curvature of the variance–range function are discussed. An analytical procedure for making the corrections is proposed and applied to theoretical and practical small-crystallite line profiles. An alternative procedure for obtaining the integrated intensity, and hence the integral breadth, and the variance (Fourier) apparent size is also presented.
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    Information content and retrieval in solution scattering studies. I. Degrees of freedom and data reduction (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 289-300 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: As a consequence of several technological developments, the speed and sensitivity of solution X-ray (and neutron) scattering studies have recently risen by factors which may be as large as 105; formal problems – like assessing the information content of the data and retrieving that information in structural terms – have thus become of immediate practical interest. The general problem of the information content of scattering experiments is discussed; its mathematical expression is derived, which depends on both the experimental data (observed values and estimated accuracy) and the a priori stochastic assumptions on the structure of the sample. The practical application of these notions to solution scattering studies involves several steps, three of which – choice of the degrees of freedom, data reduction and error analysis – are dealt with in this work. The first step is to specify the minimal number of independent parameters necessary and sufficient to describe the whole of the scattering properties of the system. Whenever the solute particles are of finite dimensions the entire scattering curve is defined by its values at a one-dimensional lattice; if, moreover, the asymptotic trend of the scattering curves is known, then the degrees of freedom are the ideal intensities at a finite number of points plus a small number of parameters describing the asymptotic trend. It is also possible to include among the degrees of freedom a few subsidiary parameters like the normalization factors. The next step is, starting from a composite set of data, to determine the most probable numerical value of each degree of freedom and to evaluate its range of uncertainty. This is discussed within the framework of variable-contrast studies, assuming that the invariant-volume hypothesis is fulfilled. An algorithm is formulated which treats all the experimental observations and determines simultaneously all the degrees of freedom and the error matrix. The algorithm also allows one to introduce additional linear constraints on the degrees of freedom. As an example, the algorithm is applied to solution X-ray scattering data recorded with a low-density serum lipoprotein. The determination of the maximal chord of the particle – an important parameter in the informational analysis – turns out to be rather tricky.
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    Macromolecular crystallography with synchrotron radiation: photographic data collection and polarization correction (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 330-337 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The design and operation of a focusing camera for high-resolution macromolecular crystallography with synchrotron radiation (SR) are described. The performance of this service-oriented instrument is evaluated on the basis of five years of use. Standard procedures for data collection, data processing and data reduction have been modified to take unusual features of the SR source into account; the effect of polarization is thoroughly discussed.
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    Oscillation camera data processing: reflecting range and prediction of partiality. I. Conventional X-ray sources (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 338-351 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Expressions are developed for reflecting range from various models, and the practical application of these in terms of reflection prediction and calculation of partiality is discussed here for conventional sources. Synchrotron sources utilizing focusing monochromator systems, where the wavelength of the radiation incident at the sample is correlated with the angular direction of that radiation, are dealt with elsewhere. Even for conventional sources spectral dispersion is shown to be an important factor, particularly in the case of high-resolution data. The various published methods are discussed and expressions are derived from first principles showing that all are inherently equivalent, differing only when approximations are used, and revealing a missing factor of two in the treatments of Rossmann [J. Appl. Cryst. (1979), 12, 225–238] and Rossmann, Leslie, Abdel-Meguid & Tsukihara [J. Appl. Cryst. (1979), 12, 570–581]. Particular emphasis is placed on the method which uses a spherical reciprocal-lattice volume element whose dimensions are designed to reproduce the expected or observed reflecting ranges, showing that for all practical purposes the effects of beam cross-fire, mosaic spread and spectral dispersion can be adequately simulated by such a volume. The equations for reflecting range are of particular interest in the electronic stationary-picture method and in the use of electronic area detectors.
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    The Rietveld method in neutron and X-ray powder diffraction (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 361-374 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: In the Rietveld method of analysing powder diffraction data, the crystal structure is refined by fitting the entire profile of the diffraction pattern to a calculated profile. There is no intermediate step of extracting structure factors. The method was applied first to diffraction patterns recorded with neutrons at a fixed wavelength. It has now been used successfully for the treatment of results from the four categories of experimental technique, with neutrons or X-rays as the primary radiation and with the scattered intensity measured at a fixed wavelength or at a fixed scattering angle. In this article we discuss the application of the Rietveld method to each of these techniques.
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    Non-centrosymmetry tests for potassium feldspars: an application of the second-harmonic generator technique (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 540-541 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Second-harmonic generator tests for non-centrosymmetry have been applied to five monoclinic potassium feldspars. Four samples yielded null results; one specimen displayed a positive test for non-centrosymmetry.
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    Aggregation of clay particles as indicated by indirect transforms of small-angle scattering data (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 564-566 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Clays prepared by sedimentation from aqueous suspension were shown to contain aggregates much larger than individual clay particles. Small-angle X-ray scattering data were obtained with an automated Bonse–Hart instrument. The distance distribution functions for the clay aggregates were obtained using the Glatter indirect Fourier transform method. The distance distribution function extended to over 200000 Å, and the average radius of gyration was over 50000 Å in the most extreme cases.
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    Interpretation of small-angle scattering curves proportional to a negative power of the scattering vector (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 567-569 
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    Notes: The intensity of the small-angle X-ray and neutron scattering from a polydisperse system of randomly oriented independently scattering particles is shown to be proportional to h−α for all values of the scattering vector h when the distribution of particle dimensions is proportional to r−(2d + 1 − α), where h = 4πλ−1 sin(θ/2);θ is the scattering angle; λ is the wavelength; r is the maximum dimension of a particle; and d is the number of dimensions of the particles. The value of α lies in the interval 0 〈 α 〈 ω, where ω = 4, 2, and 1 for d = 3, 2, and 1 respectively. This relationship between the scattered intensity and the particle-dimension distribution does not depend on the shape of the particles in the polydisperse system, provided that the particle-shape distribution is independent of the distribution of particle dimensions.
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    A method to increase protein-crystal lifetime during X-ray exposure (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 571-573 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A simple method is described for increasing the lifetimes for several crystals of proteins and viruses during collection of high-resolution X-ray diffraction data on film. Crystals are mounted in a capillary filled with mother liquor, with cotton lint fibers nested against them to prevent movement. Some results and limitations of the method are discussed.
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    Diffraction for materials scientists by J. M. Schulz (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 578-578 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Chemical vapor deposition 1960-1980, a bibliography edited by D. T. Hawkins (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 579-579 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Japan Annual Reviews in Electronics, Computers and Telecommunications (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 580-580 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    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 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    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.
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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 
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    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.
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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 
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    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.
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    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 
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    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.
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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 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    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.
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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 
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    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.
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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 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    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.
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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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    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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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    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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    URL: http://dx.doi.org/10.1107/S0021889881009291
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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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    URL: http://dx.doi.org/10.1107/S0021889881009382
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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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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    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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  • 84
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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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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    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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    ISSN: 1600-5767
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881009540
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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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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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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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    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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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    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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    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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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Crystallographers (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 490-490 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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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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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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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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    ISSN: 1600-5767
    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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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    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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    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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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    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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    ISSN: 1600-5767
    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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    URL: http://dx.doi.org/10.1107/S0021889882011418
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