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  • American Institute of Physics (AIP)
  • International Union of Crystallography (IUCr)
  • 1980-1984  (1,137)
  • 1983  (1,137)
Collection
Publisher
Years
  • 1980-1984  (1,137)
Year
  • 1
    Electronic Resource
    Electronic Resource
    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 
    Details
    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.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010328
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  • 2
    Electronic Resource
    Electronic Resource
    Crystal data for 2-(4-methyl-2-pyridyliminomethyl)phenol and 2-(4,6-dimethyl-2-pyridyliminomethyl)phenol (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 276-276 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystal data for the Schiff bases 2-(4-methyl-2-pyridinyliminomethyl)phenol (salampy) and 2-(4,6-dimethyl-2-pyridyliminomethyl)phenol (saladimpy) are reported. Salampy: C13H12N2O, Mr = 212.0, P21/c, a = 11.772(4), b = 7.5386(7), c = 15.154(5) Å, β = 124.89 (2)°, V = 1103.1(4) Å3, Dm = 1.24, Dx = 1.28 g cm−3, Z = 4; saladimpy: C14H14N2O, Mr = 226.0, P212121, a = 21.585(5), b = 8.8285(8), c = 6.2952(6) Å, V = 1199.6(3) Å3 Dm = 1.22, Dx = 1.25 g cm−3, Z = 4. The JCPDS Diffraction File No. for C13H12N2O is 33-1999, for C14H14N2O 33-1998.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010389
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal data for bis(η5-tert-butylcyclopentadienyl)hafnium(IV) dihydride dimer, [(η5-t-BuC5H4)2HfH(μ-H)]2 (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 277-277 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The air-sensitive title hydride [Hf(C9H13)2H2]2 was prepared by hydrogenolysis of (t-BuCp)2HfMe2 [Couturier, Tainturier & Gautheron (1980). J. Organomet. Chem. 195, 291–306] and crystallized from a solution in heptane or toluene and hexane. The compound is triclinic with the following cell parameters: a = 7.22(3), b = 10.31(4), c = 12.47(6) Å, α = 80.4(4), β = 74.6(4)°, γ = 72.1(3)°, V = 847 Å3, Z = 1, Dx = 1.67 Mg m− 3. Powder diffraction data were obtained from Debye–Scherrer photographs. The extended version of the paper examines several examples where Zr or Hf hydrides are monomers or dimers and shows that this structure is very similar to the related [(MeCp)2ZrH2]2 compound [Jones & Petersen (1981). Inorg. Chem. 20, 2889–2894]. This similarity and spectroscopic data show that the molecule probably has a center of symmetry situated between the two Hf atoms and the two bridging H atoms. The JCPDS Diffraction File No. for [Hf(C9H13)2H2]2 is 33-1996.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010390
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  • 4
    Electronic Resource
    Electronic Resource
    International Tables for Crystallography (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 284-284 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010444
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  • 5
    Electronic Resource
    Electronic Resource
    On the X-ray reflectivity of elastically bent perfect crystals (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 295-303 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The integrated X-ray reflectivity of elastically bent, but otherwise perfect, crystals are calculated for Laue-type reflections covering the entire curvature range. Anomalous transmission and elastic anisotropy are taken into account, and it is shown that both these effects affect appreciably the reflected intensities for both weakly and strongly bent crystals. The validity of the reflectivity-versus-curvature relation thus obtained is experimentally confirmed for a number of reflections from silicon crystals. The implications of the experimental results to brittle fracture are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988301047X
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  • 6
    Electronic Resource
    Electronic Resource
    Use of high-symmetry zone axes in electron diffraction in determining crystal point and space groups (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 317-324 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A sequence of steps is given for making use of the information available on convergent-beam electron diffraction patterns from high-symmetry zone axes for crystal point- and space-group determination.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988301050X
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  • 7
    Electronic Resource
    Electronic Resource
    Observations on the phase transition in quartz by synchrotron-radiation X-ray topography (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 354-356 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: By use of a high-temperature camera designed for in situ synchrotron-radiation X-ray topography the α−β transition was investigated in a Z-cut synthetic-quartz sample. Preliminary dynamical observations on movement of the boundaries between α and β phases and α1 and α2 domains are reported.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010535
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  • 8
    Electronic Resource
    Electronic Resource
    The crystal structure of α-mercury(II) peroxide (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 357-357 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The crystal structure of α-HgO2 was determined using X-ray powder diffraction. The crystal is C-centered monoclinic, C2/m, a = 4.470(2), b = 5.459(2), c = 3.519(2) Å, β = 108.45°, Z = 2, Dx = 9.48 g cm− 3. The variable coordinates of oxygen atoms from the peroxide dumbbell were determined as x = 0.476, z = 0.280. The final R is 0.047. The JCPDS Diffraction File No. for α-HgO2 is 33-1489.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010559
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  • 9
    Electronic Resource
    Electronic Resource
    PROMETHEUS. A program system for investigation of anharmonic thermal vibrations in crystals (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 358-358 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: PROMETHEUS is a Fortran IV program system for investigation of anharmonic thermal vibrations in crystals, using elastic X-ray or neutron data. Three different anharmonic temperature-factor equations can be used, one of them up to sixth-order terms. The corresponding probability densities and mean effective atomic potentials can be calculated. Programs for correction of isotropic thermal diffuse scattering and of isotropic and anisotropic extinction are included. Fast averaging of symmetrically equivalent reflections combined with extended reflection statistics is possible. Calculations of Fourier syntheses and their errors and of Patterson functions can be carried out and the corresponding contour maps can be plotted.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010560
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  • 10
    Electronic Resource
    Electronic Resource
    The effect of finite detector slit height on peak positions and shapes in powder diffraction (1983)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 16 (1983), S. 508-511 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The finite height of the detector slit of a powder diffractometer has three observable effects: (1) the peak is shifted by an amount that is proportional to −cot 2θ; (2) the peak is broadened by an amount proportional to cot22θ; (3) an asymmetry is introduced into the peak shape that depends on cot32θ. If the underlying instrumental resolution function has a Gaussian shape, the slit height effects can be approximated, over a rather broad range of shapes for the vertical resolution function, by an Edgeworth series making use of one adjustable parameter. This peak shape function is compared with experimental observations and with other shape functions that have been proposed. A well characterized peak shape is at least as important as resolution when the data are to be used for structure refinement by the Rietveld technique, and diffractometers should be designed so as to keep the slit height within the range that leads to shapes that can be described mathematically. Diffractometers with multiple detectors can usefully have different vertical divergences for detectors that cover different angular ranges.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889883010912
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