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  • Articles  (1,137)
  • International Union of Crystallography (IUCr)
  • 1980-1984  (1,137)
  • 1983  (1,137)
  • 1
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    Etude microstructurale de carbures M7C3 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 1-10 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Three cells with trigonal, orthorhombic or hexagonal symmetry have been proposed to describe M7C3 carbides. Examinations of heavily faulted chromium, iron, vanadium mixed carbides present in white cast irons and in chromium steels have been performed by means of electron microscopy and diffraction. Electron diffraction patterns of the first-order Laue zone have been obtained with crystals having their c axis nearly parallel to the electron beam. They contain reflections which are typical of the symmetry and streaks which are typical of the faults. This original method of examination has systematically been applied to numerous carbides and comparisons of these experimental patterns with theoretical patterns expected from models which view the three structures of M7C3 carbides as three different superlattices of a hypothetical disordered lattice lead to the following two main results: the structure of these carbides is well described with the orthorhombic cell previously given by Fruchart, Senateur, Bouchard & Michel [C.R. Acad. Sci. (1965), 260, 913]; the planar faults, which are often periodic, are antiphase boundaries or twins with fault planes {10{\bar 1}0} and fault vectors R = a, b or a + b.
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    URL: http://dx.doi.org/10.1107/S0021889883009863
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  • 2
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    Kα2 elimination algorithm for Cu, Co and Cr radiations (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 24-27 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: It is well known that the extraneous Kα2 line complicates the interpretation of X-ray diffraction spectra. Experience has shown that the arms and weights calculated by Ladell's method [Laddell, Parrish & Taylor (1959). Acta Cryst. 12, 561–567] have to be determined for each user's X-ray diffractometer, rather than using the published coefficients, for an accurate Kα2 elimination. When different materials are analyzed, the signal/noise ratio can be optimized by choosing a suitable target material. Kα2 correction coefficients have been calculated for Cu, Co and Cr radiations using a fast Fourier calculation method.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883009905
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  • 3
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    X-ray topography of natural beryl using synchrotron and conventional sources (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 47-56 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Continuous-spectrum synchrotron-radiation Laue transmission topographs of natural beryl have been compared with the corresponding projection topographs taken with conventional apparatus and Cu Kα1 and Mo Kα1 radiations in an analysis of configurations of grown-in lattice defects and of the diffraction contrast they produce. The natural defects studied included grown-in dislocations, impurity zoning and fault surfaces. A growth-sector map was constructed for the (0001) specimen slice examined. Differences of contrast among the various reflections appearing on the synchrotron-radiation topographs are discussed and it is demonstrated that the contrast characteristics of the synchrotron-radiation images which consist of a superimposition of 3{\bar 2\bar 1}1 and 6{\bar 4 \bar 2}2 reflections can be satisfactorily synthesized by a weighted superimposition of the 3{\bar 21}1 image recorded with Cu Kα1 and the 6{\bar 4\bar 2}2 with Mo Kα1. Synchrotron-radiation damage to the crystal manifested itself on the X-ray topographs both as area contrast and as contrast at the periphery of the irradiated area, yet no visual absorption or birefringence due to this damage was detected. Annealing at 770 K for 3 h completely removed the contrast due to radiation damage.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883009930
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  • 4
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    The structure of Na2UCl6 and Li2UCl6 from multiphase powder neutron profile refinement (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 164-170 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The structures of Na2UCl6 and Li2UCl6 have been determined by powder neutron diffraction at room temperature in the presence of NaCl and LiCl respectively as impurity. Na2UCl6crystallizes in space group P{\bar 3}m1, with a = 11 8062(9), c = 6.3243(2) Å, and Z = 3. The best description of Li2UCl6 was found in space group P63/mmc, a = 11.1915(5), c = 6.0356(1) Å, and Z = 3, with uranium and lithium ions disordered over the available octahedral sites. The results give the first illustration of the relative ease of analysing a two-phase mixture using a Rietveld profile program adapted to refine simultaneously more than one phase.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010201
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  • 5
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    A precise determination of the shape, size and distribution of size of crystallites in zinc oxide by X-ray line-broadening analysis (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 183-191 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The Fourier and variance methods are used to analyse the breadths of X-ray diffraction peaks from ZnO powder obtained from the thermal decomposition of Zn3(OH)4(NO3)2. The shape, size, distribution of size and orientation of the crystallites are determined. It is found that the form is markedly anisotropic and that on average the crystallites may be regarded as cylinders with a diameter of about 110 Å and height about 240 Å, but that they are in fact right prisms whose cross section is an irregular hexagon. There is excellent agreement between the experimental results and the predictions of line-broadening theory, with quantitative confirmation from electron micrographs of the sample.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010237
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  • 6
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    A new optical method and apparatus `HAUP' for measuring simultaneously optical activity and birefringence of crystals. II. Application to triglycine–sulphuric acid (NH2CH2CO2H)3.H2SO4 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 212-219 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: As the test for the utility of HAUP, simultaneous determinations of birefringence, optical activity, and rotation of the indicatrix, and electrooptic, and electrogyration coefficients were made for both paraelectric and ferroelectric states of triglycine-sulfuric acid, 3C2H5NO2.H2SO4. In the ferroelectric state, the hysteresis loop of the gyration tensor g22 was clearly observed. Electrooptic and electrogyration coefficients referred to polarization are found to be nearly independent of temperature over the paraelectric and ferroelectric states. It is important to note that gyration is more largely induced than birefringence under lower electric fields. This fact, contrary to the previous belief, indicates that simultaneous determinations of gyration and birefringence are indispensable for the correct evaluations of the optical properties of crystals.
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    URL: http://dx.doi.org/10.1107/S0021889883010274
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  • 7
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    X-ray guide tube for diffraction experiments (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 239-241 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: For diffraction experiments with an extremely small crystal or with very long distance from X-ray source to detecting instrument, the use of an `X-ray guide tube' (XGT) is proposed on the basis of a simple consideration and experiment with a Pyrex-glass tube. X-ray intensities through an XGT of glass and also through a pin hole were measured as a function of photon energy and compared to derive the gain by use of XGT. At wavelengths between Cu Kα and Mo Kα radiations, the observed gain in brightness is about thirty to twenty for the present setup, corresponding to about 50 to 80% of the maximum possible gain calculated on the assumption that the reflectivity of X-ray total external reflection is 1.0.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010304
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  • 8
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    X-ray measurement of the static Debye–Waller factor of NbHx (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 251-256 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Integrated X-ray Bragg intensities from Nb single crystals have been measured as a function of H concentration and scattering vector along high-symmetry directions. The observed attenuation can be described in terms of a static Debye–Waller factor (DWF) due to the static displacements of the Nb lattice atoms around the dissolved H. The crystals were loaded with H in situ on the X-ray diffractometer. The static DWF was determined from the ratio of the intensities from a crystal with and without H. Corrections are necessary for several magnitudes which change with the lattice-parameter change and the change of the thermal displacements upon the uptake of H. The measured static DWF is proportional to the H concentration c(H/Nb) for c≤0.30 and the square of the scattering vector K2 for small K, as expected from theory. From analysis of the static DWF the static displacements of the Nb atoms closest to the H impurity u1 = 0.1 Å were determined.
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    URL: http://dx.doi.org/10.1107/S0021889883010328
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  • 9
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    Analytical molecular surface calculation (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 548-558 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer algorithm is presented for calculating the part of the van der Waals surface of molecule that is accessible to solvent. The solvent molecule is modeled by a sphere. This sphere is, in effect, rolled over the molecule to generate a smooth outer-surface contour. This surface contour is made up of pieces of spheres and tori that join at circular arcs. The spheres, tori and arcs are defined by analytical expressions in terms of the atomic coordinates, van der Waals radii and the probe radius. The area of each surface piece may be calculated analytically and the surface may be displayed on either vector or raster computer-graphics systems. These methods are useful for studying the structure and interactions of proteins and nucleic acids.
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    URL: http://dx.doi.org/10.1107/S0021889883010985
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  • 10
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    Crystal data for magnesium decavanadate. Mg3V10O2828.H2O (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 575-575 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystal data for Mg3V10O28.28H2O were determined from oscillation, Weissenberg and precession photographs using Cu Kα radiation (λ = 1.54178 Å). The substance is triclinic, space group P{\bar 1}, Z = 2, and lattice constants a = 10.53 (5), b = 10.73 (6), c = 21.28 (9) Å, α = 90.2(1), β = 97.5(2) and γ = 104.1(3)°, V = 2310 (25) Å3 and the measured and calculated densities are 2.17(10) and 2.20 Mg m−3, respectively. The crystals were also characterized by TG/DTA measurements and vibrational spectroscopy.
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    URL: http://dx.doi.org/10.1107/S0021889883011048
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  • 11
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    An auxiliary method of indexing electron diffraction patterns by means of gnomonic projections (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 70-73 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is described which eliminates most – if not all – spurious solutions usually obtained when indexing an electron diffraction pattern from a substance having a structure with low symmetry. The proposed method is applicable when the diffraction pattern includes non-zero Laue zones, or when crystallographic planar features are recognized in the contrast images of the areas from which the diffraction patterns were taken. In the first situation, the tangential component of the stacking vector of reciprocal-lattice planes, normal to each beam direction calculated by the computer for a given diffraction pattern, is determined by means of gnomonic projections, and then compared with the one derived from the observed Laue zones. In the second situation, the trace orientation of a known planar feature observed is compared with those that can be drawn on the gnomonic projections. Alternatively, if a selected-area diffraction pattern has already been indexed, a presumed crystallographic orientation of a planar feature can be checked on a gnomonic projection.
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    URL: http://dx.doi.org/10.1107/S0021889883009966
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  • 12
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    An improved program for searching and matching of X-ray powder diffraction patterns (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 150-154 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Two major improvements have been made in the present program: (1) a so-called `substance-type discrimination' has been introduced into the searching process, which can reduce missearching remarkably; (2) a new method for quantitative intensity matching has been proposed and can give reasonable results.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010146
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  • 13
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    Crystallographers (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 158-158 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    URL: http://dx.doi.org/10.1107/S0021889883010171
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  • 14
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    The estimation of standard deviations in powder diffraction Rietveld refinements (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 159-163 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: It is shown that when the observed and calculated intensities in a powder diffraction pattern differ because of model errors which affect the calculated integrated intensities, in addition to the random counting errors, Rietveld refinement with weights determined solely by counting statistics yields estimated standard deviations for the crystal structure parameters which tend to be measures of the precision rather than the accuracy of these parameters. Under these conditions, e.s.d.'s calculated by Rietveld refinement may be significantly smaller than those obtained by integrated intensity refinement of the same data set. A method of adjusting Rietveld e.s.d.'s, to provide comparability with integrated intensity refinement, is proposed.
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    URL: http://dx.doi.org/10.1107/S0021889883010195
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  • 15
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    A method for the interpretation of the Warren–Averbach mean-squared strains and its application to recovery in aluminium (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 176-182 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method for the interpretation of Warren–Averbach mean-squared strain curves is presented. If a polynomial is fitted to such a mean-squared strain curve, then the coefficients of this polynomial can be expressed simply in the mean-squared local strain in the direction perpendicular to the diffracting planes and the mean-squared derivatives of this strain. The method is applied to a series of X-ray diffraction line broadening measurements of isochronally recovery-annealed aluminium. The changes in the average squared derivatives observed after different anneals are explained as changes in the dislocation arrangements in the specimen. The parameters obtained by the method are found to be sensitive to small changes in the strain fields.
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    URL: http://dx.doi.org/10.1107/S0021889883010225
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  • 16
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    A focusing X-ray camera for recording low-angle diffraction from small specimens (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 198-203 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An X-ray camera is required in many low-angle diffraction experiments to focus the X-ray beam incident on the specimen. This paper describes an X-ray camera designed to record two-dimensional diffraction data from small specimens with unit cells as large as 50 nm. It matches the 200 μm focal spot of a rotating-anode X-ray generator to an electro-optical detector with a spatial resolution of 300 μm. The camera is very flexible and can accommodate a total source-to-detector distance of 2.5 m. The X-ray beam is focused by two 20 cm mirrors bent by simple two-point benders. The theory of such benders and the design of X-ray cameras incorporating them is discussed briefly. The paper also describes a fast (1 ms) X-ray shutter and simple ion chambers useful for alignment and operation.
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    URL: http://dx.doi.org/10.1107/S0021889883010250
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  • 17
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    An energy-dispersive spectrometer for the rapid measurement of X-ray absorption spectra using synchrotron radiation (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 220-232 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The design and evaluation of an energy-dispersive spectrometer to measure X-ray absorption spectra rapidly using a synchrotron-radiation source is presented. The method employs a cylindrically bent triangular crystal to focus and disperse a quasi-parallel polychromatic X-ray beam onto the sample. The beam passing through the sample then diverges towards an X-ray detector where beam position can be correlated to energy. Both concentrated and dilute samples were measured on X-ray film and with an electronic linear photodiode array detector and the data analysed to determine the resolution obtained and the data quality. This method is shown to provide an efficient way to obtain high-quality EXAFS and absorption-edge data and should permit kinetic studies to be performed on small samples with good counting statistics. The method should find application in the fields of biophysics, chemistry and materials science.
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    URL: http://dx.doi.org/10.1107/S0021889883010286
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  • 18
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    Oscillation camera data processing. 3. General diffraction spot size, shape and energy profile: formalism for polychromatic diffraction experiments with monochromatized synchrotron X-radiation from a singly bent triangular monochromator (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 242-250 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The size and shape of diffraction spots produced by monochromated synchrotron X-radiation from a singly bent triangular monochromator are derived following a simpler more comparative treatment given in earlier work on reflecting range and prediction of partiality for oscillation camera data [Greenhough & Helliwell (1982). J. Appl. Cryst. 15, 493–508]. In that treatment the possibility of a polychromatic experiment {[see Arndt Nucl. Instrum. Methods (1978), 152, 307–311] for an earlier suggestion} was identified and here the energy profile within each diffraction spot is derived along with the spectral resolution ∂E/E at any point in the profile due to experimental conditions and sample characteristics. A firm theoretical basis is established so that experimental problems and procedures can be discussed with a view to optimizing the method in the light of the presentation of the first reported polychromatic experiment [Arndt, Greenhough, Helliwell, Howard, Rule & Thompson (1982). Nature (London), 298, 835–838].
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    URL: http://dx.doi.org/10.1107/S0021889883010316
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  • 19
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    X-ray diffraction studies on the arrangement of water molecules in a smectite. I.Homogeneous two-water-layer Na-beidellite (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 264-269 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method of indirect analysis of X-ray diffraction patterns of homogeneous hydrated microcrystalline silicates is introduced. This method is applied to a sodium beidellite of Rupsroth, Bavaria, Germany, hydrated with two water layers to determine all its structural characteristics: namely, the average dimension and size distribution of coherent domains, stacking mode of the layers along the c* direction, levels and number per unit cell of water molecules. A critical analysis on the `concept of homogeneity' of hydrates and a discussion on the conditions of its application to lamellar microcrystalline silicates with a few numbers of layers are made.
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    URL: http://dx.doi.org/10.1107/S0021889883010353
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  • 20
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    The determination of the crystallinity in glass-ceramic materials by the method of Ruland (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 274-276 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The method of Ruland [Acta Cryst. (1961). 14, 1180–1185] for the determination of crystallinity has been modified in order to take account of a difference in chemical composition of the crystallized and non-crystallized fractions, such as occurs in glass-ceramic materials. Application to two samples leads to higher crystallinities than found by other X-ray methods, and shows a large increase of disorder with decreasing crystallinity.
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    URL: http://dx.doi.org/10.1107/S0021889883010377
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  • 21
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    Kristallstrukturdaten von PdPb0.2As0.8(m) (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 277-278 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The structure of the metastable phase PdPb0.2As0.8(m) is isotypic with NiAs. The hexagonal unit-cell parameters (293 K) are: P63/mmc, a = 3.803(1), c = 5.651(1) Å, U = 70.78 Å3; Z = 2, Dx = 9.75 g cm−3; Cu Kα radiation. X-ray powder diffraction data are reported. The JCPDS Diffraction File No. for PdPb0.2As0.8(m) is 33-1490.
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    URL: http://dx.doi.org/10.1107/S0021889883010407
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  • 22
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    Report of the Twelth General Assembly and International Congress of Crystallography (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 361-361 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    URL: http://dx.doi.org/10.1107/S0021889883010602
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  • 23
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    A rotating-crystal pulse shaper for use on a pulsed neutron source (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 363-369 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A pulse-shortening device is described for use on pulsed thermal-neutron sources. The device employs rotating single crystals and has applications in the design of high-resolution cold-neutron spectrometers.
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    URL: http://dx.doi.org/10.1107/S0021889883010638
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  • 24
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    Use of diffraction and Mössbauer methods for the structural and crystallochemical characterization of nontronites (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 374-383 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The aim of this work is the study of the order-disorder distribution of the Fe3+ cations in a dioctahedral smectite: the Garfield nontronite. The structural characteristics have been determined by selected-area electron diffraction, oblique texture electron diffraction and X-ray diffraction. These methods lead to the conclusion that the octahedral vacancies are in trans positions and that part of the Fe3 + ions is occupying the tetrahedral sites. The Mössbauer spectra of the nontronite were decomposed into four doublets. According to the determined structural characteristics, these doublets are interpreted in terms of trans vacant octahedral positions.
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    URL: http://dx.doi.org/10.1107/S0021889883010651
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    Growth defects in a quartz druse 〈a+c〉 dislocations (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 399-403 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Growth defects have been studied by X-ray topography in two natural quartz crystals from a Brasilian druse. Different types of defects have been observed and they showed similar configuration in both samples. Dislocations are analyzed and discussed. In particular, `pyramidal' dislocations with (a +c) Burgers vectors have been characterized: these uncommon dislocations are analyzed in detail because even today they are believed to be nucleated only by deformation processes. The observations, taken as a whole, indicate that defects of crystals from a druse present distinctive characteristics.
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    Calculation of anomalous scattering factors at arbitrary wavelengths (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 437-437 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A Fortran program and photoelectric cross section data file are available for calculating anomalous scattering factors at arbitrary X-ray wavelengths. The two files can be obtained by sending a blank magnetic tape to the author along with instructions for preferred tape format.
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    Etude du gonflement des vermiculites–ornithine en solution saline par analyse de la diffusion des rayons X aux petits angles. Méthode d'interprétation et recherche des paramètres d'ordre (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 439-448 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method of interpretation is presented for the small-angle scattering patterns of vermiculite–ornithine gels. The method has been applied to the results obtained from a vermiculite from Malawi. The distribution of spacings between parallel first-neighbour silicate layers can be described by three order parameters, whose values are found by analysing the experimental modulation functions. The variation of these order parameters with the salt concentration of the suspension should allow one to specify the swelling process as well as the relationship between the crystal chemical properties of the silicate and its behaviour as a colloid.
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    Industrial crystallization 81 edited by S. J. Jancic and E. J. de Jong (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 580-580 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    The sampling theorem and small-angle scattering (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 581-589 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: All information about the scattering sample obtainable from small-angle scattering data is shown to be contained in the discrete measured points of a scattering curve distorted by arbitrary collimation conditions, provided that the interval Δh between adjacent measured points fulfils the condition Δh ≤ π/L, where L is the largest correlation distance in the sample; h = 4πλ−1sinθ; λ is the scattered wavelength; and 2θ is the scattering angle. A simple technique has been developed for separation of part of the noise. It is shown that if the total time for measuring a scattering curve is held constant, a scattering curve recorded with Δh equal to the sampling-point interval π/L gives results like those obtained for a scattering curve recorded with a measured point distance smaller than that sampling-point interval. Therefore, Δh should be chosen to be small enough to guarantee that Δh ≤ π/L. Furthermore, a technique has been developed to calculate missing data points from the measured intensities. The condition Δh ≤ π/L has been found to be important for this calculation.
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    Crystal-structure refinement by profile fitting and least-squares analysis of powder diffractometer data (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 611-622 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The refinement of crystal structures using X-ray powder data in a two-stage method is described. (1) The integrated intensities of the individual reflections are derived by a profile fitting method in which the profile shapes are accurately defined using an experimentally determined instrument function and the sum of Lorentzian curves. (2) These values are then used in a powder least-squares refinement for structure determination. The results obtained with three simple structures (silicon, quartz and corundum) gave R(Bragg) values of 0.7 to 2.5%. The necessity of correcting for preferred orientation and the importance of proper specimen preparation are also discussed.
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    Lattice-parameter measurements of PbHPO4 single crystals by the ratio method (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 623-628 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Temperature dependences of PbHPO4 single-crystal lattice parameters were measured by the ratio method in the range 158–421 K. Below the ferroelectric phase transition (Tc = 310 K) lattice parameter b increases non-linearly with decreasing temperature while all others decrease linearly. The ratio method was generalized to the monoclinic crystal system for this purpose.
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    Asymmetrically grooved monolithic crystal monochromators for suppression of harmonics in synchrotron X-radiation: erratum (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 648-648 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A typographical error has occurred in Hashizume [J. Appl. Cryst. (1983). 16, 420–427]. The first two complete sentences on page 425 should read: A attains a minimum value of 0.024 at bII = 0.27, where about half of the initial fundamental intensity is preserved. The initial rise of the fundamental intensity, which occurs in the range 1.0 〉 bII ≥ 0.64, is accounted for by a close examination of the overlap pattern of R(1)HI and, R(1)0II at the relevant bII values: the shifted and extended peak profile of R(1)0II admits the high-angle tail of R(1)HI and rejects the low-angle flank of R(1)HI, and the gain due to the former more than compensates for the loss caused by the latter.
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    Diagrammes de poudres de l'iminostilbene, C14H11N, de l'iminodibenzyle, C14H13N, et de son derivé: le chloro-3 iminodibenzyle, C14H12ClN (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 649-649 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: X-ray powder data have been obtained for the three title compounds, fundamental members of a group of psychotropic drugs. For the first two compounds, the crystal structures of which have previously been solved [Reboul, Cristau, Soyfer & Estienne (1980). Acta Cryst. B36, 2683–2688; Reboul, Cristau, Estienne & Astier, (1980). Acta Cryst. B36, 2108–2112], the powder patterns were indexed on the basis of an orthorhombic unit cell with the lattice constants a = 8.22 (1), b = 20.40 (1), c = 6.03 (1) Å, space group Pnma for C14H11N; C14H13N is monoclinic, space group P21/c with a = 11.60 (1), b = 11.27 (1), c = 20.05 (1) Å, and β = 126.5 (1)°. C14H12ClN is also monoclinic, P21 or P21/m, with Z = 2, a = 11.68 (1), b = 8.08 (1), c = 12.13 (1) Å and β = 95.6 (1)°. The JCPDS Diffraction File Nos. for these compounds are: C14H11N 34-1995; C14H13N 34-1996, C14H12ClN 34-1994.
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    Measurement of the atomic coordinates of a Kendrew-type model from two projections (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 658-659 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    A computer program for the deconvolution of X-ray diffraction profiles with the composite of Pearson type VII functions (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 653-657 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program for the deconvolution of X-ray diffraction profiles has been written in Fortran IV. The deconvolution procedure is based on the minimization of the difference between the observed data function and a calculated function, where the latter is the convolution of the instrumental function and the true data function approximated with an analytical expression. The composite of two asymmetric Pearson type VII functions was assumed to represent the true data function, and the simplex method was used for the minimization. The stability of convergence and the influences of the truncation effect and the step width of intensity data on the deconvoluted profile were examined. The computer program can deconvolute the X-ray diffraction profile in moderate computation time without generating spurious oscillations due to the truncation effect.
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    The f.c.c.+tetragonal two-phase region of the Cu–Ni–Zn system (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 99-102 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The f.c.c. + tetragonal two-phase region of the Cu–Ni–Zn system has been delineated, and unit-cell parameters along the boundaries determined. Apparently anomalous parameter measurements prevented the determination of the tie lines. A pattern of diffraction broadening from the tetragonal phase common to both the two-phase and single-phase regions was related to the variation in lattice spacing of the tetragonal phase along the boundary. Reasons for this broadening are discussed.
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    Detwinning cell for high-transition-temperature atmosphere-sensitive ferroelastic crystals (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 96-98 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A universal cell is reported for detwinning ferroelastic crystals, with transition temperatures that range from 300 to 1300 K, in a controlled atmosphere. A carefully oriented compressive stress on the order of 0.1–1 MN m−2 is applied to the twinned crystal at room temperature. The crystal temperature is raised from 300 K through the phase transition and is slowly lowered again under stress. The cell has been used to detwin crystals of Na5W3O9F5 with a Curie temperature of 800 K in an atmosphere of flowing high-purity oxygen, and crystals of Rb2KMoO3F3 with a Curie temperature of 328 K in air. Successful detwinning is demonstrable by the complete conversion of high-angle multiple-component line profiles diffracted by the as-grown crystal to single-component reflection profiles.
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    An error assessment of single-crystal 2πdata from four-circle diffractometry (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 126-132 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The criteria developed in the error analysis of 2θ powder data for cubic and uniaxial phases [Frevel (1978). J. Appl. Cryst. 11, 184–189] are extended to biaxial single-crystal data. A methodology is described for applying the focusing matrix method to exhaustive sets of 2θ data for pinacoid and prism reflections measured on a four-circle diffractometer. A spheroidal crystal of hyperpure Si is used to calibrate a Syntex P{\bar 1} automated diffractometer and to establish an effective wavelength for graphite-monochromated Mo Kβ1β3 radiation. A high-quality single-crystal of cis-[bis(7,9-dimethylhypoxanthine) (ethylenediamine)platinum(II)] hexafluorophosphate, [Pt(C2H8N2)(C 7H8N4O)2].(PF6)2, serves as a test case for comparing the normal least-squared analysis with the focusing matrix method. It is concluded that an absolute accuracy greater than one part in 2000 for cell constants of biaxial crystals is difficult to achieve from automated four-circle diffractometer data (2θ ≤ 40°) for non-spheroidal crystals with linear dimensions ca 0.2 mm.
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    Replacement of monochromator and proportional gas counter by mercuric iodide detector in X-ray powder diffraction (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 136-137 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Low-resolution and therefore low-cost mercuric iodide detectors have successfully been applied to replace the combination of a graphite monochromator and a proportional gas radiation counter used in X-ray diffractometers. The mercuric iodide detector requires a lower DC bias of only 200 V rather than the 1500 V bias needed for the proportional gas counter. The much better stopping power of HgI2 allows higher counting efficiency and therefore a better signal-to-noise ratio. Results are shown for X-ray powder diffractions of polycrystalline cubic silicon and tetragonal HgI2.
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    Le tétrabromomercurate(II) de monométhylammonium (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 142-143 
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    Notes: Bis(monomethylammonium) tetrabromomercurate, (CH3NH3)2HgBr4, 2CH6N+.Hg2+.4Br−, is monoclinic, space group P21/c. Unit-cell dimensions are: a = 7.979(4), b = 13.351(4), c = 11.289(4) Å, β = 96.36(2)°, Z = 4, Dm = 3.25, Dx = 3.24 Mgm−3. The compound undergoes a phase transition at low temperature. The JCPDS Diffraction File No. of this compound is 33-1997.
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    Protein model building by the use of a constrained–restrained least-squares procedure (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 144-150 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The use of a macromolecular model building program, CORELS, which fits a series of constrained groups to a set of approximate guide coordinates, while simultaneously restraining the stereochemistry between groups, is described for protein molecules. The results of an application of this program to hen egg white lysozyme are discussed.
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    Crystal data for antimony molybdenum oxide Sb2MoO6 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 143-143 
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    Notes: The powder data for antimony molybdenum oxide Sb2MoO6 are reported. This compound is triclinic, P{\bar 1}, with a = 7.481(4), b = 7.504(3), c = 10.120(1) Å, α = 70.43(3), β = 70.91(4), γ = 83.34(7)°; U = 505.9(5) Å3; Z = 4; Dx = 5.74 Mg m−3. The structure is of the fluorite type but it is distorted. Pseudo-monoclinic cells as reported by Parmentier, Courtois & Gleitzer [Bull. Soc. Chim. Ft. (1974), 1–2, 75–77] or that obtained with program TRACER [Lawton & Jacobson (1965). Mobil Oil Corporation Research Department; Lawton (1967). Mobil Oil Corporation Research Department] are also considered and discussed. Neutron diffraction gives further evidence of the triclinic lattice. The JCPDS Diffraction File No. for Sb2MoO6 is 33–1491.
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    Reciprocal lattice and Ewald construction as an experiment for use in lectures (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 157-158 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Microdiffraction from stacking faults and twin boundaries in F.c.c. crystals (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 171-175 
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    Notes: Electron microdiffraction patterns have been obtained from regions of diameter about 15 Å in thin crystals of stainless steel containing twin boundaries and stacking faults. The diffraction spots show splittings which are characteristic of the type of defect present as a result of interference effects in the coherent convergent electron beam. The observations of spot splitting are in good agreement with calculations based on simple theoretical models. In conjunction with previous work on antiphase domain boundaries [Zhu & Cowley (1982). Acta Cryst. A38, 718–724] these results suggest that the observation of spot splitting is of general relevance for the study of all planar faults in thin crystals.
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    Routine recording of diffuse scattering from disordered molecular crystals (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 192-197 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: We describe the use of conventional Weissenberg equipment to record in a routine manner the diffuse scattering from disordered molecular crystals. The diffuse image is digitized using an Optronics P1700 scanner and is corrected for background and other errors before subsequent rewriting as an undistorted reciprocal-lattice section in a form suitable for easy interpretation. The resolution of the method is discussed.
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    A new optical method and apparatus `HAUP' for measuring simultaneously optical activity and birefringence of crystals. I. Principles and construction (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 204-211 
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    Notes: A new and accurate method has been developed by which all the components of the anisotropy of the optical susceptibilities can be determined. The apparatus based on this method has been constructed, and named as HAUP (High-Accuracy Universal Polarimeter). The basic principle is to measure the intensity of the light beam, which is propagated successively through a polarizer, a specimen, and an analyser, as functions of azimuth and deflecting angle from the crossed-Nicols condition. Thus the method is characterized by its extreme simplicity, which prevents systematic errors. Considerations and tests of inevitable systematic errors are made. The systematic errors originating in the parasitic ellipticities of the polarizer and analyser are found to be serious for the measurements of optical activity; appropriate solutions to remove them are devised here. Sensitivities of measurements of optical activity and birefringence by the HAUP method reach 4.8 × 10−8 and 2.2 × 10−6 respectively, the accuracy being 4.2 × 10−3 and 2.2 × 10−3 respectively. By using HAUP it has become possible to measure simultaneously all the components of optical activity, birefringence and rotation of optical indicatrix of any crystals, including those belonging to the monoclinic and triclinic systems. These measurements can be made from about 400 K down to 10 K. Also, simultaneous determinations of electrogyration and electrooptic coefficients have become feasible by applying electric fields to crystals.
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    Double hexagonal superstructure of Au–Mg alloy containing 20 at.% Mg studied by high-voltage high-resolution electron microscopy (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 233-238 
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    Notes: High-resolution observations of Au–20.2 at.% Mg alloy have been carried out by using a 1 MV electron microscope. The many-beam images with the [001] axial illumination are interpreted in terms of the double hexagonal superstructure of 9a0−4H type. With the aid of computer simulations by the multislice method, it is revealed that two kinds of interpretable image are obtained for different specimen thicknesses at the optimum defocus. The imaging conditions are discussed in comparison with the orthorhombic structure of the D023 type.
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    Reciprocal-lattice-compatible representation of linear position-sensitive detector output (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 257-258 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: For the X-ray case relating to a small crystal and not involving a monochromator, the (Δω, Δ2θ) intensity array for a Bragg reflection, derived from use of a linear position-sensitive detector and arranged as for an ω/θ scan, can be relatively simply scaled to correspond with the distribution around a reciprocal-lattice point in the plane of diffraction.
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    Difference thermal analysis of crystalline solids by the use of energy-dispersive X-ray diffraction (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 259-263 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is described to study the structural behavior of solids subjected to various temperature programs. The instrumentation consists of a high- or low-temperature device, a temperature programmer, a system for energy-dispersive X-ray diffraction and a data processing and storing unit and allows the fully automatic acquisition of series of spectra. A strong data reduction is performed by summing up difference diagrams. Plotting the resulting values versus temperature yields curves comparable to those obtained by differential scanning calorimetry (DSC) or thermal gravimetry (TG). A kinetic evaluation as used in the case of DSC or TG curves is possible. The method was applied to study the thermal behavior of a mixture of ammonium nitrate with zinc oxide. The curves indicate the strong anisotropic thermal expansion of the ammonium nitrate phase IV below 323 K, its transition to phase II at 325–329 K and the solid-state reaction with zinc oxide within the temperature interval of 353–383 K.
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    A rapid and precise method of measuring Kendrew-model coordinates with theodolites (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 270-273 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The Kendrew-model coordinates of KDPG aldolase have been measured with the use of two theodolites which are improved versions of a conventional surveyor's transit. The four angular measurements are converted to Cartesian coordinates and a minimum-error estimate with a minicomputer interfaced to the theodolites. The positions of 1677 atoms of the asymmetric unit of KDPG aldolase were measured by two of the authors in four working days or at the rate of about 60 atoms h−1. The standard deviations of the bond distances and angles of the model obtained were ± 0.04 Å and about 7°, respectively. The mathematics of the various conversions are presented.
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    Crystal data for nickel and cadmium α-L-alaninates (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 279-281 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Powder data for bis(α-L-alaninato)nickel(lI) tetrahydrate (monoclinic), bis(α-L-alaninato)cadmium(II) trihydrate (hexagonal) and bis(α-L-alaninato)cadmium(II) (orthorhombic) are reported. Ni(C3H6NO2)2.4H2O: Mr = 306.9, C2, Cm or C2/m, a = 20.34(1), b = 6.48(9), c = 9.73(7) Å, β = 93.0(3)°, V = 1283(28) Å3, Z = 4, Dm = 1.54(3), Dx = 1.56 Mg m−3, Cu Kα (λ = 1.5418 Å); Cd(C3H6NO2)2.3H2O: Mr = 342.6, P3112, P3121, P3212 or P3221, a = 6.37 (1), c = 25.5(7) Å, V = 899(32) Å3, Z = 3, Dm = 1.86(4), Dx = 1.90 Mg m−3, Cu Kα; Cd(C3H6NO2)2: Mr = 288.6, a = 5.45(2), b = 9.19(6), c = 18.08(4) Å, V = 907(11) Å3, Z = 4, Dm = 2.00(5), Dx = 2.11 Mg m−3, Cu Kα. The JCPDS Diffraction File Nos. are: 33-1991 for Ni(C3H6NO2)2.4H2O; 33-1992 for Cd(C3H6NO2)2.3H2O; 33-1993 for Cd(C3H6NO2)2.
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    An interactive program for the interpretation and simulation of Laue patterns (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 281-283 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An interactive Fortran IV program is described which allows the orientation matrix of a crystal to be determined and refined without ambiguity, from a transmission or reflection Laue photograph. The indexing method is that of Riquet & Bonnet [J. Appl. Cryst. (1979), 12, 39–41] applied to a small number of data (less than ten) and adapted for interactive use. The verification of calculated solutions or even the trial-and-error search for the right solution is made by means of the visual comparison between the experimental diagram and simulated patterns displayed on a graphic screen. In addition, the rotation angles for setting the crystal to any new orientation may be computed.
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    Rational functions as profile models in powder diffraction (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 289-294 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Rational functions, the ratio of two polynomials, are shown to be good approximations to powder diffraction profiles. These functions are generalizations of the Lorentzian, the modified Lorentzian, and the profile model of Parrish [Parrish, Huang & Ayers (1976). Trans. Am. Crystallogr. Assoc. 12, 55–73]. The simplest of these functions is of the form f(x) = 1/(1 + A1x2 + A2x4) with constants A1 and A2 that describe the shape of the profile, x = 2θ − 2θ0, and 2θ0 the position of the peak maximum. This function approximates very well Pearson VII distributions with exponents between 1 and 3. An asymmetric profile model with different A1, A2 parameters for the two halves of the peaks was fitted to silicon X-ray powder diffraction profiles and gave unweighted agreement factors from R2 = 0.02 to 0.04 for peaks varying from 28 to 137° 2θ.
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    The determination of crystallite-size and lattice-strain parameters in conjunction with the profile-refinement method for the determination of crystal structures (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 309-316 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: It is shown that the current status of the least-squares profile-refinement method, for the determination of crystal structures from X-ray and neutron powder diagrams, allows the simultaneous determination of crystallite-size and lattice-strain parameters. As profile-shape functions the Voigt, pseudo-Voigt and Pearson VII functions are considered. Formulae are obtained enabling structure refinement and size-strain analysis in the same computer run.
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    Residual stresses in cubic materials with orthorhombic or monoclinic specimen symmetry: influence of texture on ψ splitting and non-linear behaviour (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 325-340 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A quantitative formulation is given of the X-ray diffraction determination of (elastic) lattice deformation in a direction determined by two angles ψ and φ with respect to the specimen frame: the so-called sin2ψ method giving full credit now to crystallographic texture. In most cases of practical X-ray stress analysis, (residual) stresses are evaluated by the traditional sin2ψ, method using quasi-isotropic X-ray elastic constants depending on the lattice plane {hkl} chosen for the measurement but not on the directions φ and ψ. For the case of a textured specimen, however, the single-crystal elastic bitensor components should be coupled to the orientation distribution function (o.d.f.). At variance with most papers published on this subject, which describe the texture using ideal texture components, a general method is developed making full use of relevant o.d.f. theory. It is demonstrated that for orthorhombic specimen symmetry no ψ splitting occurs in contrast with the case of monoclinic specimen symmetry. The theory developed is used to explain some experimental results published previously. All calculations use Reuss's theory of elasticity which neglects the mutual coupling of the crystallites.
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    On `forbidden' reflections in calcia- and yttria-stabilized zirconia (CSZ and YSZ) (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 357-357 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Corrections to a paper by Schoenlein, Hobbs & Heuer [J. Appl. Cryst. (1980), 13, 375–379] are given.
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    A simple method to cut a single crystal in any desired direction (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 360-360 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Crystallographers (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 360-361 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Report of the Executive Committee for 1981 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 361-361 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Small-angle scattering with azimuthal asymmetry (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 384-389 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Small-angle scattering spectra which lack azimuthal symmetry indicate structural anisotropy. For data which exhibit elliptical azimuthal symmetry, the system under investigation has generally been modelled by aligned rotational ellipsoids for the inhomogeneities. It is shown that the scattering centers do not necessarily have to be ellipsoidal, but only that they have azimuthal symmetry around some unique axis within the sample. The scattered intensity may then be described by an ellipsoidal function. The Guinier approximation can also be made for inhomogeneities with only azimuthal symmetry.
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    The growth and perfection of crystals of ammonium dihydrogen orthophosphate, NH4H2PO4. I. Dislocation characterization in self-nucleated crystals (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 390-398 
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    Notes: A combined theoretical analysis and experimental study has been made of the nature of dislocations which propagate in the prismatic and pyramidal growth sectors of ammonium dihydrogen phosphate (ADP). In general the line energies of the dislocations formed in both the sectors are less than 45 eV nm−1. A few higher-energy dislocations (123 eV nm−1) were characterized in the prismatic sectors. The line directions of dislocations which are formed in the pyramidal sectors are such that they propagate towards the growth-sector boundaries and cross into the prismatic sectors. Alternatively, they follow the growth-sector boundaries and emerge at the intersection of adjacent faces. Few, if any, dislocations propagate within these sectors. Consequently, although dislocation-controlled mechanisms of growth may contribute to the growth of the {101} faces of ADP in the early stages of growth, other mechanisms will dominate at longer times. In contrast, the prismatic sectors are more imperfect, containing both screw and mixed dislocations. For these sectors spiral-growth mechanisms are more likely to dominate at all stages of growth.
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    New procedures for quantitative studies of diffuse X-ray scattering (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 407-414 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Equations are derived for errors due to counting statistics in the determination of local order parameters and interatomic displacements from the diffuse X-ray scattering from solid solutions or nonstoichiometric compounds. The Georgopoulous–Cohen procedure is employed, which permits the determination of displacements for individual (AA and BB) pairs. It is shown that certain analysis procedures and a large variation in the ratio of scattering factors through the measured volume in reciprocal space improve the accuracy of the separation of the various contributions to the intensity with this procedure, particularly with respect to the terms due to displacements. Therefore, a short-wavelength radiation (Mo Kα, for example) is sometimes desirable. Weighting the measured intensities with respect to the counting errors also improves the separation. The new procedures also facilitate the analysis of high-temperature measurements and data from ternary systems.
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    Asymmetrically grooved monolithic crystal monochromators for suppression of harmonics in synchrotron X-radiation (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 420-427 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: To suppress unwanted harmonics in crystal-diffracted synchrotron X-radiation, monolithic grooved-crystal monochromators have been studied in theory and experiment. Simply by building non-parallel groove walls in a perfect crystal, the overlap of dynamical diffraction ranges on the two crystals is canceled for higher harmonics, while a partial overlap is preserved for the fundamental, leading to a substantial improvement in fundamental-to-harmonics ratio in the diffracted beam. A grooved silicon 111 monochromator with wall angles of 0 and 7° delivers a beam of harmonic contamination better than 3.3% at fundamental wavelengths between 1.2 and 1.6 Å with a beam intensity exceeding 50% of that available from a standard channel-cut crystal. Silicon 331 and 511 versions can achieve harmonic contaminations well below 0.1%. Asymmetrically grooved monochromators can work as stable wavelength scanners free from harmonics requiring no delicate control of angle.
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    Crystal data for rhombohedral Pb3[Ge2O7]isotypic with Pb-barysilite (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 430-430 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Metastable barysilite-like Pb3[Ge2O7] was obtained from the melt at a sufficiently high cooling rate together with stable Pb5Ge3O11, α-PbGeO3, and a homologous series of other metastable lead germanates. The crystal data derived from an indexed powder diagram are a = 10.2960(6), c = 39.805(4) Å, space group R{\bar 3}c, Dm = 7.18, and Dx = 7.188 Mg m−3 for Z = 18. The JCPDS Diffraction File No. for Pb3[Ge2O7] is 33-1487.
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    Notes and News (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 438-438 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    A variable-temperature sample container for low-temperature neutron powder diffraction (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 449-452 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A variable-temperature sample container was developed for the neutron powder diffraction study of crystal structures and phase transitions in solidified gases. It consists of two coaxial tubes made of boron-free fused silica and fitted with heating coils and thermocouples. The exchange space between the tubes is filled with low-pressure helium gas controlled by two fine needle valves. Used in conjunction with a centre-stick-type liquid-helium cryostat and a proportional temperature controller, it maintains a powder sample of about 8 cm3 volume at a constant temperature anywhere in the 4.2 to 77.4 K temperature range. Its stability is not worse than ±0.15 K and the liquid-helium consumption is about 1 litre a day above 17 K, increasing up to 6 litres a day at lower temperatures. It can also be used for the preparation of fine-grained powder samples directly from the gas phase.
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    An absolute intensity standard for small-angle X-ray scattering measured with position-sensitive detectors (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 473-478 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Silica sols have been evaluated as a means of determining the incident beam intensity using position-sensitive detectors. Analysis of the total integrated small-angle X-ray scattering yielded an electron density of the suspended silica particles that was within 4% of the electron density of amorphous silica. The sols were found to be particularly well suited for use with position-sensitive detectors and represent a convenient, rapid, and accurate means to determine the incident beam intensity.
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    Assessment of parameter accuracies in profile analysis of white-beam neutron powder diffraction experiments (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 479-485 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: One of the problems arising in profile analyses of white-beam powder diffraction experiments is that in order to assess the reliability of the refined structure parameters allowance must be made not only for errors in the actual powder data but also for uncertainties in the various wavelength-dependent corrections involved. As a means for such assessments the present work provides a general method in which the incident white neutron flux spectrum is assumed to be measured and combined with the other wavelength-dependent factors to form a set of effective incident intensities with known statistical properties for the diffraction peaks. Given that appropriate models are used for both the powder spectrum and the effective fluxes, the unknown model parameters and their accuracies can be estimated optimally through a single least-squares fit of the available experimental data. By applying the formalism to a real nickel powder measurement, it was shown that the precision of the parameter estimates may depend considerably on the errors of the wavelength-dependent corrections, unless these are known with much higher accuracies than the diffraction pattern. In the example this proved true especially for the scale factor and the temperature factor.
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    Diffraction line profiles and Scherrer constants for materials with hexagonal crystallites (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 512-518 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Diffraction line profiles and Scherrer constants for use with various measures of diffraction broadening are derived for right hexagonal prisms. A method is described for obtaining the size of crystallites with this form and a comparison is made with a cylindrical model. The technique is applied to annealed ZnO powder obtained from the thermal decomposition of Zn3(OH)4(NO3)2. The Fourier method is used to show that the crystallites are hexagonal prisms with an average height and edge length of 213 and 87 Å and with the z axis parallel to the axis of the prism and x or y parallel to an edge.
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    Monolithic double-grooved-crystal monochromators with tunable harmonic suppression for neutrons and X-rays (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 524-531 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The principal methods of employing double-crystal reflection for harmonic rejection are briefly reviewed. The effect of using non-equal d spacings (dispersion) is considered. A new type of perfect-crystal monochromator consisting of a monolithic combination of a pair of grooved crystals a and b is described. The monochromaticity (degree of harmonic suppression) M(β) is tuned by tilting groove a with respect to groove b by an appropriate angle β. The tilting is achieved in a simple way through a pair of helical springs. With three reflections in the first and two reflections in the second groove M(β0) values between about 300 and 100 have been measured for X-rays at energies ranging from 6.72 to 9.86 keV and at a bandwidth ΔE/E∼1.5%. β0 is the tilting angle for which M(β) is optimized. Once aligned the monochromator is a very simple unit, which can be mounted on any standard goniometer head and which can be used for both X-rays and thermal neutrons.
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    Eccentricity corrections for a modified Debye–Scherrer camera (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 532-534 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: By substituting a thin flat powder specimen for the conventional cylindrical sample in a modified Debye–Scherrer camera [Frevel, DeLeeuw & Albe (1982). Norelco Rep. 29, 2, 38–39], well defined diffraction profiles representative of the entire sample are obtained. The peak of such a diffraction profile can be measured quite accurately so that for that reflection the effective center of the diffracting sample may be determined from the bracketing diffraction peaks of an internal standard.
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    Detector aperture size in the conventional estimation of integrated intensity in the \def\lambdabar{\ifvmode\noindent\fi{\hbox{$\lambda$}\kern-0.35em\raise0.7ex\hbox{-}\kern0.2em}}\lambdabar"/20 scan mode (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 572-573 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: In respect of the traditional wide-aperture procedure for the measurement of integrated intensity, the practice of varying the detector aperture width from reflection to reflection as a function of tan θ is shown to be erroneous in relation to the ω/2θ scan mode: in most cases, no adjustment is needed at all.
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    Crystal data for Rb2CoCl4.2H2O (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 575-575 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: This compound is triclinic, probably isostructural with Rb2MnCl4.2H2O, the space group is P1 or P{\bar 1}, a = 6.50 ± 0.04, b = 6.99 ± 0.04, c = 5.58 ± 0.03 Å, α = 92.8 ± 0.1°, β = 97.2 ± 0.1°, γ = 65.4 ± 0.1°, V = 228.76 ± 0.06 Å3, Z = 1, Dm = 2.94 ± 0.03, Dx = 2.96 g cm−3. The precession method and Zr-filtered Mo Kα radiation (γ = 0.7107 Å) were used. The description of the specimen preparation, chemical analysis, morphology and comparison with similar substances have been deposited.
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    Crystal data for CuGaxIn1−xTe2 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 576-576 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A series of samples in the system CuGaxIn1−xTe2, 0 ≤ x ≤ 1, has been synthesized and characterized by X-ray diffraction. All the samples have a chalcopyrite-type structure, the unit-cell parameters a and c and the ratio c/a changing linearly with x. The unit-cell parameters for the compounds with x = 1, 0.80, 0.65, 0.50, 0.30, 0.15 and 0 and the powder diffractometer data for x = 1, 0.5 and 0 are given at 298 K. CuGaTe2: a = 6.021(2), c = 11.937(5) Å, V = 432.75 Å3, Dx = 5.96 g cm− 3; CuGa0.80In0.20Te2: a = 6.053(2), c = 12.039(4) Å, V = 441.09 Å3, Dx = 5.99 g cm− 3; CuGa0.65In0.35Te2: a = 6.084(2), c = 12.107(7) Å, V = 448.14 Å3, Dx = 5.99 g cm−3; CuGa0.50In0.50Te2: a = 6.107(2), c = 12.177(7) Å, V = 454.15 Å3, Dx = 6.01 g cm−3; CuGa0.30In0.70Te2: a = 6.144(2), c = 12.296(7) Å, V = 464.16 Å3, Dx = 6.01 g cm−3; CuGa0.15In0.85Te2: a = 6.168(3), c = 12.355(10) Å, V = 470.04 Å3, Dx = 6.03 g cm−3; CuInTe2: a = 6.195(2), c = 12.418(6) Å, V = 476.58 Å3, Dx = 6.04 g cm−3. The JCPDS Diffraction File Nos. are: 34-1500 for CuGaTe2; 34-1498 for CuInTe2; 34-1499 for CuGa0.50In0.50Te2.
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    Crystallographers (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 580-580 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    ICOTOM-6 edited by S. Nagashima (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 580-580 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    A double-source double-crystal X-ray spectrometer for high-sensitivity lattice-parameter difference measurements (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 599-605 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method of measuring the difference between the lattice parameter of a region of an unknown sample and that of a region of a standard reference crystal to a sensitivity of 1 part in 109 is presented. Problems inherent in multiple-beam arrangements due to sample strains and non-uniformity have been overcome by the use of a new double-source arrangement in which the two X-ray beams sample the same spot on a crystal under study. Ways of identifying and preventing errors from significant mechanical and thermal effects arising in the sensitivity region explored are indicated.
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    Qualitative and quantitative morphological study on α and β phases of ammonium pentaborate tetrahydrate (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 637-640 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A qualitative and quantitative morphological study on the α and β phases of ammonium pentaborate tetrahydrate has been carried out. Crystals of the two phases were obtained by slow evaporation from aqueous solutions. Usually the α phase was obtained with {101}; {\bar 101}; {011} and {110} as crystal forms, a high percentage of the crystals (99%) were twins, with a twofold axis parallel to c as the twin law. When MgCl2.6H2O was added to the solution, the β phase was obtained as prismatic crystals elongated along [\bar 110] with {111}, {\bar 111 } and {001} as crystal forms. Generally, these crystals were also twins, with a twofold axis parallel to [110] as twin law. A qualitative and quantitative morphological study showed the α-phase crystals to have the theoretical growth forms, while the crystal forms of the β phase were explained by the presence in the solution of (H2O)6Mg2+ and Cl− ions.
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    Application of in situ synchrotron X-ray topography to the study of a solid-phase transformation: crystallography of the transition in pure titanium (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 646-648 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: With a high-temperature camera, designed for in situ synchrotron radiation X-ray topography, the crystallography of the α → β transition in titanium has been studied.
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    A new magnesium aluminium zirconium oxide, Mg5+xAl2.4−xZr1.7+0.25xO12 with -0.4≲x≲0.4 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 649-649 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The title compound has been synthesized by sintering oxide mixtures between 1975 and 2175 K. It decomposes at or below ca 1875 K. Quenched to room temperature, the phase is trigonal with ao = 3.2496(1), c0 = 25.221(1) Å, V = 230.65(2) Å3, Z = 1, Dm = 3.95(1) g cm−3, refraction indices εD293 K = 1.805(5), ωD293 K = 1.855 (5) and birefringence Δ′ = 0.05. The JCPDS File No. for magnesium aluminium zirconium oxide is 34-1495.
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    FINAX: a computer program for correcting diffraction angles, refining cell parameters and calculating powder patterns (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 651-653 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program is described, whose purpose is the refinement of cell parameters from X-ray or neutron diffraction data. It is of particular use when working with powder diffraction patterns, as it has the possibility of (a) correcting the measured diffraction angles from reference reflections and of (b) calculating a theoretical powder diffractogram, including intensities. A minimum of crystallographic information has to be given and input is partially in free format. E.s.d.'s in cell parameters, as well as in the volume, are calculated. It handles α1−α2 splitting and calculates, apart from the theoretical line positions, also a more realistic position of where to expect a given reflection on the film.
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    Prices of Acta Crystallographica and Journal of Applied Crystallography (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 659-660 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Experimental versus theoretical charge densities: a hydrogen-bonded derivative of bicyclobutane at 85 K (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 61-75 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Structure locale de δ-FeOOH (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 165-170 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Structure analysis of the disordered cubic phase of rubidium cyanide (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 171-175 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    The structure of potassium-exchanged heulandite at 293, 373 and 593 K (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 189-197 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Analysis of the incommensurate structure in Sr2Nb2O7 by electron microscopy and convergent-beam electron diffraction (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 210-216 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Protonic solid electrolytes: a single-crystal neutron diffraction study of ammonium–hydronium β''-alumina (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 227-235 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Structure and crystal chemistry of mixed-valence ternary platinum oxides: MnPt3O6, CoPt3O6, ZnPt3O6, MgPt3O6, and NiPt3O6 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 217-226 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    [Fe4Te8]-Cluster in Cs7Fe4Te8; ein Neuartiges Bauprinzip bei Ternären Metallchalkogeniden (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 235-238 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    The molecular symmetry of glutaminase-asparaginases: rotation function studies of the Pseudomonas 7A and Acinetobacter enzymes (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 250-257 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Triclinic lattice constants of saturated mono-acid triglycerides (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 381-388 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    The structure of 2-methyl-2-propanol at 293 K (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 394-399 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Neutron diffraction at 15 and 120 K and ab initio molecular-orbital studies of the molecular structure of 1,2,4-triazole (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 388-394 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Influence of high hydrostatic pressure on the crystal structure of BaFCl in the pressure range up to 6.5 GPa (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 401-404 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Anisotropic mean-square displacements (MSD) in single-crystals of 2H- and 3R-MoS2 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 404-407 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Effect of temperature on interatomic distances in pyroelectric α-LiIO3 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 408-413 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Electron diffraction study of the Si2Te3 structural transformation (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 421-426 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Macle par pseudosymétrie et par pénétration de l'hydrate 2[Ca(H2O)7].[Cd6Cl16(H2O)2]∞.H2O. Interprétation morphologique et structurale (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 427-430 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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    Crystalline-state reaction of cobaloxime complexes by X-ray exposure. VI. Racemization of tributyl- and triphenylphosphine complexes (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 431-437 
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    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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