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  • American Meteorological Society (AMS)
  • American Association of Petroleum Geologists (AAPG)
  • International Union of Crystallography (IUCr)
  • 1980-1984  (5,963)
  • 1925-1929
Collection
Publisher
Years
Year
  • 1
    Electronic Resource
    Electronic Resource
    Phases, lattice parameters and thermal expansion of (GaxIn1−x)2Se3, 1≥x≥0, between room temperature and melting point (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 24-30 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The phases, their lattice parameters and the linear coefficient of the lattice thermal expansion were determined by high-temperature X-ray diffraction between room temperature and the melting point for the system (GaxIn1 − x)2Se3 (1 ≥ x ≥ 0). A wide homogeneity range of zinc blende structure was found in the Ga-rich region when a certain critical temperature was reached. In the In-rich region the alloys were isostructural with γ-In2Se3 at all temperatures, and the linear thermal-expansion coefficient was composition dependent.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880011454
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  • 2
    Electronic Resource
    Electronic Resource
    X-ray Bragg reflexion and strain compensation in silicon crystals (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 31-33 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystal-lattice strain induced by impurity doping may be compensated for by diffusion of another kind of impurity. This was tried with successive diffusion of germanium and boron into (111) silicon wafers and was confirmed in a nondestructive way from the intensity profiles of the 333 Bragg reflection of Cu Kα X-rays. The intensity profile is related to the strain distribution along the depth through numerical computations, the programme for which has been developed and utilized previously [Fukuhara & Takano (1977). Acta Cryst. A33, 137–142] in quantitative discussions on strain and impurity concentration in silicon.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880011466
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  • 3
    Electronic Resource
    Electronic Resource
    The determination of diffuse-boundary thicknesses of polymers by small-angle X-ray scattering (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 34-45 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Thermal density fluctuations within phases and finite interphase widths lead to systematic deviations from Porod's law. The validity of present methods used to analyze these deviations and determine diffuse-boundary widths is determined. In view of the inadequacies found in these methods, a simple yet accurate method is proposed to determine the diffuse-boundary width from direct graphical analysis of slit-smeared intensity data. The diffuse interface is modelled by a sigmoidal-gradient model which is justified on thermodynamic grounds, with the interphase thickness as a function of the Flory–Huggins interaction parameter.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880011478
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  • 4
    Electronic Resource
    Electronic Resource
    A miniature piston-cylinder apparatus for high-pressure X-ray diffraction in conjunction with energy dispersion (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 46-49 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A miniature piston-cylinder high-pressure cell has been constructed for experiments with energy-dispersive X-ray diffraction. The maximum pressure achieved was 37 × 108 Pa. Examples are given for KCl and MgO, both measured with NaCl as an internal standard. The phase transition in KCl has been observed and the CsCl structure type verified.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988001148X
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  • 5
    Electronic Resource
    Electronic Resource
    Etude des défauts des croissance dans des monocristaux naturels de quartz (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 50-57 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Defects are studied in natural quartz crystals by X-ray diffraction topography with a Lang camera. Dislocations, precipitates and band growths revealed by X-ray studies are also characterized by other methods such as optical microscopy and thermoluminescence. Finally, a model of growth is proposed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880011491
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  • 6
    Electronic Resource
    Electronic Resource
    Theoretical considerations of extra equal-thickness fringes around a dislocation outcrop observed with an X-ray plane wave (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 58-64 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An analytical interpretation is presented of extra half-line equal-thickness fringes observed at a dislocation outcrop in X-ray and electron micrographs of wedge-shaped crystals taken at off-Bragg conditions. Extra fringes arc well explained as the interference of two wavefields deduced from Takagi's equations for dynamical diffraction in distorted crystals. Theoretical discussions given in the present paper confirm the experimentally obtained rule of Δn = h. b (h is the diffracting vector and b the Burgers vector of a dislocation), which determines the extra number of fringes, Δn, at the dislocation outcrop. When h. b ≠ integer, it is predicted that a discontinuous shift will occur in the position of equal-thickness fringes along the topographic image of a dislocation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880011508
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  • 7
    Electronic Resource
    Electronic Resource
    Preparation and X-ray powder diffraction studies of triple orthovanadates having langbeinite structure (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 450-451 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Triple orthovanadates MIBaCr2(VO4)3 (where MI = Li, Na or Ag) are synthesised by solid-state reaction. These compounds are found to have orthorhombically distorted langbeinite structure. The crystallographic parameters of these compounds for an orthorhombic cell with P212121 as the space group and containing four formulae per unit cell are reported.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012514
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  • 8
    Electronic Resource
    Electronic Resource
    Données cristallographiques sur les thiocyanates de tris(éthylènediamine)rhodium(III) actif, racémique et racémique actif (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 452-453 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: (±)Rh(en)3(SCN)3 and (+)Rh(en)3(SCN)3, Rh(C2H8N2)3.(SCN)3, C6H24N6Rh.C3N3S3, crystallize in orthorhombic cells. The lattice constants are respectively a = 14.652 (5), b = 14.268 (6), c = 17.480 (6) Å and a = 14.711 (4), b = 13.481 (3), c = 9.166 (2) Å. They are isomorphic with their homologues (±)Co(en)3(SCN)3 and (−)Cr(en)3(SCN)3. The active racemate [(+)Rh(en)3(+)Cr(en)3](SCN)6 is isomorphic with the monoclinic form of [(+)Co(en)3(−)Cr(en)3](SCN)6. Its lattice constants are a = 15.707 (5), b = 17.739 (4), c = 9.426 (3) Å and γ = 131.04 (2)°.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012526
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  • 9
    Electronic Resource
    Electronic Resource
    An X-ray diffraction study of the system Al2Se3In2Se3 in the In-rich region (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 454-458 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A series of samples in the system Al2Se3–In2Se3 in the In-rich region have been synthesized and studied by X-ray diffraction. In the interval of the Al/In (molar) ratio r from r≳ 1/50 to r≲ 1/20 the system has a two-phase region, α + γ1, where α is isostructural with the room-temperature modification of In2Se3, and γ1 is isostructural with the second high-temperature modification, γ, of In2Se3. For r ≳ 1/20, ternary γ1 alloys (AlxIn1−x)2Se3 are present alone and their unit-cell parameters decrease continuously as the Al content increases. These results are analogous with those obtained for the system Ga2Se3–In2Se3 in the In-rich region. The samples have also been studied by differential thermal analysis and electron-probe microanalysis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012538
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  • 10
    Electronic Resource
    Electronic Resource
    Advances in X-ray analysis. Vol. 22 edited by G. J. McCarthy, C. S. Barrett, D. E. Leyden, J. B. Newkirk and C. O. Ruud (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 462-463 
    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/S0021889880012587
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  • 11
    Electronic Resource
    Electronic Resource
    Industrial crystallization 78 edited by E. J. De Jong and S. J. Jancic (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 463-463 
    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/S0021889880012599
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  • 12
    Electronic Resource
    Electronic Resource
    Calcul du Profil des bandes de diffraction produites par des empilements de feuillets de nature différente (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 148-153 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Until now, the calculation of intensities diffracted by layer structures has only been treated in the two extreme cases, namely (i) the layers interfere completely and (ii) the layers do not interfere (turbostratic structures). The present paper develops the mathematical treatment which allows the calculation in the intermediate case, namely when layers are only partially interfering.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880011764
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  • 13
    Electronic Resource
    Electronic Resource
    Crystal data for new rare-earth thallates MIIITiIIIO3(M=La,Nd) (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 613-613 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Powder X-ray diffraction data for two new rare-earth thallates, MIIITlIIIO3 (M = La, Nd), have been reported. These thallates have been prepared using two chemical routes by heating homogeneous 1:1 molar reaction mixtures of (a) rare-earth carbonates, MIII2 (CO3)3.nH2O, and thallous carbonate, Tl2CO3, and (b) rare-earth oxides, MIII2O3, and thallous carbonate, in air at 823±10 K for 7 h.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012897
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  • 14
    Electronic Resource
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    Crystal data for three new ammonium potassium pyrophosphates (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 614-615 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Unit-cell parameters and space groups have been determined for three ammonium potassium pyrophosphates. The compound (NH4, K)2H2P2O7 is triclinic with space group P1 or \overline P1, and a = 7.950 (3), b = 7.270 (3), c = 7.184 (3) Å, α = 90.89 (4), β = 117.61 (3), γ = 81.56 (4)°, Z = 2. The hydrated salt (NH4, K)2H2P2O7.0.5H2O is orthorhombic with space group Pnma or Pna21, and a = 19.22 (2), b = 7.64 (1), c = 10.39 (1) Å, Z = 8. The tribasic salt (NH4, K)3HP2O7.H2O is monoclinic with space group Cc or C2/c. The X-ray data show that a = 19.41 (2), b = 6.158 (6), c = 16.90 (2) Å, β = 107.5 (1)°, Z = 8. The indexed powder diffraction patterns are given for the three salts.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012903
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  • 15
    Electronic Resource
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    Small-angle X-ray scattering from solutions of flow-oriented colloidal particles (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 154-162 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The amount of information which can be obtained from a small-angle X-ray experiment can be considerably increased by orienting the solute particles with external forces during the scattering experiment. In this paper it is shown that orientation by flow, for instance through a capillary tube, gives additional information about size, shape, flexibility and rotational diffusion of the particles. The only requirement, in order to obtain flow-oriented samples, is that the solute particles must be relatively large and asymmetric. On the other hand, if the scattering curve is dependent on the flow rate through the capillary, it can immediately be concluded that the solute particles are asymmetric (or they are deformed in the hydrodynamic field). Equations describing the relationship between flow rate, molecular shape and scattered intensity are given, and theoretical intensity patterns for some representative cases are presented. It follows that there is a fundamental difference in scattering patterns for oblate and prolate ellipsoids of revolution. This difference can be used to differentiate between these two cases. Some experimental results obtained using inorganic model colloids are presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880011776
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  • 16
    Electronic Resource
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    A device for accurate single-crystal X-ray diffraction investigations at non-ambient temperatures: 83–1120 K (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 43-50 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A device is described which uses liquid nitrogen to generate a cold or hot gas stream which is blown directly onto the crystal mounted on an X-ray diffractometer. With a specially constructed high-vacuum (〈 1.3 × 10–5 Pa) jacketed silica Dewar tube, it can operate between 83 and 1120 K with a stability over long time periods of ± ¼ K below and ± 1 K above ambient temperature. In the latter case the short-time stability is ± ¼ K for hours. It gives an inert atmosphere at elevated temperatures and allows extensive data collection for the accurate determination of crystal structures. The evaporator, the automatic refilling system and the silica Dewar tube are described.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008649
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  • 17
    Electronic Resource
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    A fitting method for X-ray diffraction profiles (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 60-61 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A fitting method is proposed for X-ray diffraction profiles which requires only a small number of parameters.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008686
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  • 18
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    Crystal data for two series of solid solutions: (RbxK1−x)MgCr2(VO4)3 and (TlxK1−x)MgCr2(VO4)3 (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 61-62 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Complete solid solution is observed amongst the compounds of the type M1MgCr2(VO4)3 (where M1 = K, Rb or Tl). The solid-solution series obtained show linear changes in peak positions and peak intensities in their X-ray diffraction patterns. The crystallographic behaviour with respect to the value of x for (RbxK1−xMgCr2(VO4)3 and (TlxK1−x)MgCr2(VO4)3 solid solutions is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008698
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  • 19
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    Crystal data for ferric molybdate: Fe2(MoO4)3 (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 64-65 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Indexed powder patterns of the monoclinic phase, stable at room temperature, and of the orthorhombic phase, stable for T 〉 786 K, are given. The cell dimensions are: a = 15.737 (8), b = 9.231 (5), c = 18.224 (9) Å, β = 125.46 (2)° at 295 K; a = 9.330 (3), b = 12.868 (5), c = 9.242 (3) Å at 818.6 K. Linear equations describing the thermal expansion of the two phases of ferric molybdate are reported. To verify if ferric molybdate can incorporate excess MoO3, measurements on non-stoichiometric samples were also made: no evidence of the presence of excess MoO3 was found.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881008716
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  • 20
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    Crystal data for high-temperature As2O5 (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 68-68 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: High-temperature As2O5 at 768 ± 5 K is tetragonal with a = 8.577 (1), c = 4.637 (1) Å, V = 341.2 Å3, Z = 4, Dc = 4.475 Mg m−3. Indexed powder data are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988100873X
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  • 21
    Electronic Resource
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    BLOKJE, a computer program to calculate the domain of an atom in a structure (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 151-153 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program has been written with the aim of calculating the domain of an atom in a structure. The domain may be limited by planes situated half-way between the atoms, or at a distance that takes into account the relative radii of the atoms. Data concerning this domain and the corresponding coordination polyhedron are computed and printed. Punched cards, to be used in a special plotting program, can also be produced. Three types of weighted coordination number are calculated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988100900X
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  • 22
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    Optical transforms of disordered molecular crystals (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 244-251 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An Optronics P-1700 film-writing device is used to produce simulations of disordered organic molecular crystals. The simulations may be used directly to obtain optical diffraction patterns for comparison with X-ray diffuse scattering photographs of real crystals. Examples of some substituted anthracenes are given to demonstrate the diversity of disorder effects which may be included and the level of precision achieved.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012009
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  • 23
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    The asymmetrically cut Bonse–Hart X-ray diffractometer. II. Comparison with the Kratky camera (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 256-258 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The asymmetrically cut, optimized BH diffractometer for small-angle X-ray scattering experiments is compared with the Kratky camera. It is shown that a crossover point exists in the resolution so that at a lower resolution the Kratky camera is superior and at a higher resolution the BH system is preferable. The crossover point depends on the number of reflections used. Methods of reducing the spurious signal and increasing the S/N ratio of the BH system are also discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889880012022
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  • 24
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    An estimate of the surface roughness effect (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 219-222 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method for the computation of the effect of rough sample surfaces on diffraction intensities is described. Though the model used for the calculation is a special simple one, it is exact. The method is illustrated by its application to a surface whose boundary is a saw-tooth. Possible generalizations of the character of the surface roughness effect and how it depends on the dimensions of the surface irregularities are inferred from the calculation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889881009229
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  • 25
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    Preliminary investigation of a new X-ray film (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 256-260 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A new X-ray film, produced by CEAVERKEN in Sweden, has recently become available. Some properties of this film have been compared to three other films commonly used in the recording of X-ray diffraction intensities (Agfa T4, Kodak No-screen, Ilford Industrial G). The linearity of CEA film has been found to be similar to that for Agfa and Ilford. The speed of the new film is about 10% lower than Agfa or Kodak, and the film factor was measured to be 2.9 for Cu Kα radiation. The background level is significantly lower than on the other three films investigated. This combination of properties makes CEA film suitable for routine collection of X-ray diffraction data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188988100931X
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  • 26
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    Precipitation and ordering in calcia- and yttria-stabilized zirconia (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 375-379 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Single crystals of ZrO2–15 mol % CaO and ZrO2–9 mol % Y2O3, annealed for either 400 h at 1273 K or 2.5 h at 1673 K and then quenched, were examined by electron diffraction and dark-field transmission electron microscopy. The thermal treatments duplicated those of Faber, Mueller & Cooper [Phys. Rev. B (1978), 17, 4884–4888], who used elastic neutron scattering to investigate fluorite-forbidden reflections which arise from what previous authors have called the `ordered' structure. The present results show that the extra reflections are due to precipitation of tetragonal ZrO2 in both systems. Imaging with the diffuse-scattered intensity also present reveals small domains, presumably associated with oxygen-vacancy ordering, in the cubic solid-solution matrix. The diffuse intensity is observed whether or not tetragonal ZrO2 precipitates are present.
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    Multiple twinning in Co(C15H11OS)3 (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 397-398 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystals of tris(3-mercapto-1,3-diphenyl-2-propen-1-onato)cobalt(III), Co(C15H11OS)3, C45H33CoO3S3, are monoclinic, P21/a, a = 19.33, b = 11.02, c = 18.13 Å, all ±0.3%, β = 93°0′±15′; Dobs = 1.346 (5) Mg m−3 at 293 K giving Z = 4 and Dx = 1.338 Mg m−3. Multiple twinning results from fortuitous pseudo-orthorhombic and pseudo-hexagonal (a/b ∼√3) twin-lattice symmetry around c[001].
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  • 28
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    Crystal data for Lu2Si2O7 (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 349-350 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Lutetium pyrosilicate single crystals Lu2Si2O7 were grown by a floating-zone technique associated with an arc image furnace. The compound is monoclinic, space group C2/m, Z = 2, a = 6.7665 (14), b = 8.8407 (18), c = 4.7195 (27) Å and β = 101.95 (3)°. Indexed X-ray powder data at 294 K are given.
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    Crystallographers (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 353-354 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 30
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    Revised crystal data of BaZnGeO4 (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 400-401 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Transparent and colourless single crystals of BaZnGeO4 were grown by the Czochralski pulling method. Chemical analysis showed that the crystal composition was very close to stoichiometry. The unit cell is hexagonal with a = 9.297 (1) and c = 35.284 (2) Å. These are √3 and 4 times larger for a and c, respectively, than the already reported ones. D293 is 5.144 and Dx is 5.140 Mg m−3 for Z = 24. The most probable space group is P63. Indexed powder data and some physical properties are given.
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    The measurement of the X-ray scattering factors of silicon from the fine structure of Laue-case rocking curves (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 410-416 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Laue-case rocking curves of a pair of crystals with nearly equal thickness display a detailed fine structure which is shown to be very suited to the determination of precise values of the atomic scattering factor fg. Preliminary data thus obtained are f440 (AgKα) = 5.377 (15) and f440 (Mo Kα) = 5.402 (18) for silicon at 293 K. They agree well with the more precise data obtained in the past with the Pendellösung method using wedge-shaped crystals [Aldred & Hart (1973). Proc. R. Soc. London Ser. A, 332, 223–238]. The strength and the advantages of the new method are discussed. With proper optimization the rocking-curve method is assumed to measure fg values with errors less than 0.1%.
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    A study of the ordered structures of the Au–Mn system by high-voltage–high-resolution electron microscopy. II. Two-dimensional antiphase structures based on the DO22 structure (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 392-400 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Two-dimensional antiphase domain structures existing in the composition range 20–23 at.% Mn were investigated by a high-resolution structure-imaging technique with a 1 MV electron microscope. The structures are based on the DO22 structure and consist of parallelogram-shaped domains containing 4 × 3 columns of Mn atoms and lozenge-shaped domains with 4 × 4 and 3 × 3 columns, and the domains are separated by two-dimensional antiphase boundaries parallel to the ({\bar 2}40) and (240) planes of the fundamental face-centred structure. The configuration of the domains changes delicately with a slight change of composition or annealing temperature, and the symmetry of the structure is lowered below about 670 K. The ideal structure models have compositions of about 22.7 at.% Mn. The images of about half of the specimen area of the 22.6 at.% Mn alloy annealed at 570 K do not correspond to these new structures, but bear a resemblance to the image expected from the two-dimensional antiphase structure proposed by Watanabe [J. Phys. Soc. Jpn (1960), 15, 1030–1040] for Au3Mn, which is based on the L12 structure and has boundaries parallel to the (100) and (010) planes.
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    Crystallographers (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 462-462 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Scanning electron microscopy/1979. Parts I and II edited by O. Johari (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 463-464 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Optimization of quantitative X-ray diffraction analysis (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 479-485 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Very little emphasis is generally given to the reliability of the concentrations obtained by the methods of X-ray diffraction phase analysis. Thus the statistical accuracy of the results is not or only vaguely known. The related optimization problem of choosing the precision of measurement of the diffraction peaks in such a manner that the concentrations of required accuracy be obtained in a minimum time is unsolved in the literature. Owing to the lack of this optimization, the time spent on the diffraction measurements is usually much larger than the accuracy of the results would substantiate. The optimization is elaborated in the present paper. The resulting procedure to be followed is conceptually simple and of general applicability. A computer program has been developed for carrying out all calculations.
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    Détermination précise de la composition de couches epitaxiées Ga1−xInxP (0≤x≤0,10) (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 513-515 
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    Notes: The chemical composition of Ga1−xInxP (0 ≤ x ≤ 0.10) alloys epitaxically grown on GaP substrates has been determined by electron microprobe analysis and by lattice-parameter measurement (a). The a(x) calibration curve follows Vegard's law which confirms the regular character of the solid solution and the existence of strain relaxation in the epitaxic layers.
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    Report of the Executive Committee for 1979 (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 635-635 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 38
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    Current topics in materials science. Vol. 3 edited by E. Kaldis (1980)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 13 (1980), S. 636-637 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 39
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    Polymorphism of malononitrile. Crystallographic characterization of the L–F phase transition (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 1-2 
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    Notes: The L-F phase transition of malononitrile, CH2(CN)2, has been characterized by powder X-ray diffraction analysis. The powder data of L and F phases are given. Crystallographic results are consistent with spectroscopic and calorimetric ones which indicate that this transition is of first order and corresponds to a reconstructive mechanism.
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  • 40
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    Precise lattice parameter determination of PtHg4 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 100-101 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The lattice parameter of cubic PtHg4 at 298 K is 6.2001 Å and it is accurate to better than 1 part in 10000.
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  • 41
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    HELP: a Fortran V computer program for obtaining the Cartesian coordinates of a single molecule from its chemical formula (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 129-132 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A Fortran V computer program for obtaining the atomic coordinates of a single molecule from its chemical formula is presented. The program has been tested in a UNIVAC 1100 computer. The program assigns a Cartesian system to each skeletal bond and assigns each atom to its proper Cartesian system. The program lists the various types of bonds of each atom and, given the torsion angles, computes the conformation of the whole molecule. Torsion angle and atom numbering is automated by the program. Cyclic structures can also be represented. At present molecules containing hydrogen, carbon, oxygen, phosphorus, nitrogen, sulfur, silicon and halogen atoms can be represented.
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    Asbestos. Vol. 1. Final report of the Advisory Committee; Vol. 2. Papers prepared for the Advisory Committee (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 77-78 
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  • 43
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    A cell model for X-ray scattering from random systems (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 309-314 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A model, belonging to the class of cell models previously introduced, is developed to calculate the small-angle X-ray scattering of random multiphase systems. This model, which is applied to supported metal catalysts, involves two cell sizes, one for the support and one for the metal. Interphase surface areas and the correlation function, related to the X-ray scattering intensity by a Fourier transform, are given in terms of these two parameters. By fitting the measured intensity I(h) to that predicted by the model, values for the metal and support surface areas are obtained.
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  • 44
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    Use of a single-stage, closed-cycle cryorefrigerator for routine measurements at moderately low temperatures on a four-circle neutron diffractometer (1981)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 326-328 
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    Notes: A single-stage closed-cycle helium cryorefrigerator has been installed on a conventional four-circle neutron diffractometer. The cold head together with a specially designed support and alignment unit are sufficiently compact to enable it to be mounted directly onto the φ rotation table within the χ circle in place of the normal goniometer head used for room-temperature experiments. The device has a temperature range of 50 to 300 K, is extremely simple to use, and has a low operation cost as no cryogenic liquids are consumed. There are additional restrictions on the diffractometer angles but, with care, it is possible to measure at least half the reciprocal sphere.
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  • 45
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    Interactive dynamic molecular display (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 467-468 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A program is described to allow the dynamic graphic manipulation of molecules on a Tektronix 4054 graphics system. The program is useful for structure examination during X-ray crystal structure solution and for visualizing the results of structure determinations.
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  • 46
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    The forward scattering of cold neutrons by mixtures of light and heavy water (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 15-19 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The forward scattering of cold neutrons in small-angle scattering experiments on macromolecules dissolved in mixtures of light and heavy water is predominantly determined by the large incoherent cross section of the hydrogen atoms leading to an isotropic background level. The probability per unit solid angle for forward scattering by samples rich in H2O is approximately equal to the fraction of the primary beam which has not been transmitted through the sample, divided by the full solid angle 4π. When using the camera D11 at the high flux reactor in Grenoble [Ibel (1976). J. Appl. Cryst. 9, 296–309] this simple relation is fulfilled within ±5% by a 1 mm thick sample of H2O at 281.8 K using neutrons of 1.0 nm wavelength. In D2O, the coherent cross section is of the same order as the incoherent one, and about one half of all those neutrons which had been removed from the primary beam are scattered into large angles. Our experimental results and the derived graphs allow us to determine the effective forward scattering per unit solid angle for any volume fraction of D2O in H2O/D2O mixtures around room temperature by a simple and accurate transmission experiment in conjunction with the measurement of the scattering of one single sample of H2O of 1 mm thickness, for neutrons of wavelengths from 0.45 to 1.0 nm.
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    A new CeO2 form obtained as oxidation product of CeO2+SiO2-doped hot-pressed silicon nitride (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 55-59 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: By using data from the Wallace & Ward [J. Appl. Cryst. (1975), 8, 255–260] cylindrical texture camera integrated with other traditional X-ray powder film techniques for very low and very high diffraction angles, a new high-temperature modification of CeO2 was identified and indexed resulting in a trigonal or hexagonal unit cell with a = 8.36(2) and c = 10.42(2) Å, (axial ratio 1.264) and Z = 16. The new phase is an oxidation product of CeO2-doped hot-pressed silicon nitride. It can be quenched to room temperature under appropriate conditions. Its stability on reheating is strictly related to its interaction with the silicate phase.
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    A simple method for the determination of structure-factor phase relationships and crystal polarity using electron diffraction (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 60-64 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Multiple electron scattering between weak beams has been used as the basis for a simple method to determine the absolute polarity of some non-centrosymmetric crystals. For crystals with the sphalerite structure many orientations have been found in which small departures from centrosymmetry produce large effects on the convergent-beam diffraction patterns (microdiffraction). The effects are reasonably independent of thickness and so can be analyzed qualitatively without the use of computers.
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    Refinement of the crystal orientation matrix for the flat-cone diffractometer (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 79-81 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A procedure for refining a crystal orientation matrix for the flat-cone diffractometer is discussed. The positions of the centers of gravity of refections obtained during routine data collection are transformed in such a way that they can be used as input to the least-squares procedures of Busing & Levy [Acta Cryst. (1967), 22, 457–464] or Shoemaker & Bassi [Acta Cryst. (1970), A26, 97–101]. The orientation matrix can be refined on the basis of the positions of all observed reflections, and not only of a selected sample, thus increasing its reliability. The procedure is particularly suited for protein crystallographic studies, as it makes it possible to compensate for crystal movements encountered during data collection.
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    The resolving capability of the NaI(Tl) scintillation detector (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 98-99 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Attention is drawn to the influence of high quantal flux on the resolving capability of the scintillation detector.
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    A comment on attenuator factors and the dead time of counter systems (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 99-100 
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    Notes: Attenuator factors are functionally dependent on X-ray flux when dead time is ignored. The combination of this effect with counting losses downgrades diffracted intensity progressively with increasing intensity and is therefore liable to be confused with the effect of extinction. It can have a significant influence on the accuracy of the resultant structure factors. Estimation and elimination of this error source is straightforward.
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    Paramètres, groupe d'espace et diagramme de poudre de l'amino-2 thiazole-1,3 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 106-107 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The title compound, C3H4N2S, crystallizes in the orthorhombic system, space group Pbca. The cell constants are determined from a single crystal: a = 9,62 ± 0,02, b = 5,90 ± 0,01 and c = 15,59 ± 0,03 Å. X-ray powder diffraction data are given.
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    An X-ray diffraction study of the system Al2S3–In2S3 in the In-rich region (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 107-111 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A series of samples in the system Al2S3–In2S3 in the In-rich region have been synthesized and studied by X-ray diffraction. At the lowest values of the Al/In (molar) ratio, r, the existing phase, β, is isostructural with the room-temperature, ordered, tetragonal phase of In2S3. As the Al content increases a progressive disorder of cations takes place. For r≳l/10 this disorder is completed and β is replaced with a phase, denoted as α, which is isostructural with the first high-temperature, cubic, phase of In2S3. The unit-cell parameters of the ternary β and α alloys, (AlxIn1 − x)2S3, decrease linearly as the Al content increases. From r≳1/3 to r ̃2/3 there is a two-phase region, α + γ1. The hexagonal phase γ1 is isostructural with AlInS3, appearing at r = 1, and with the second high-temperature, γ, modification of In2Se3. The phase γ1 also exists in the systems Ga2Se3–In2Se3 and Al2Se3–In2Se3 in the In-rich region for the (Ga, Al)/In (molar) ratio greater than ̃1/50.
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    Notes and News (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 577-578 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Mössbauer spectroscopy and its chemical applications edited by J. G. Stevens and G. K. Shenoy (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 579-579 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Neutron transmutation doped silicon edited by J. Guldberg (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 579-580 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Rietveld refinement with spallation neutron powder diffraction data (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 581-589 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The mathematical functions necessary for Rietveld refinement of time-of-flight neutron powder diffraction patterns from spallation sources are developed and a computer program for least-squares analysis is described. The results of Rietveld refinements of nickel and a low-carbon steel are described and discussed. The method fully exploits the high resolution (Δd/d ̃0.3 ̃0.5%) available with powder diffractometers currently in operation on these sources and examples are given of precise determination of atom coordinates, thermal parameters, lattice parameters and the detection of small strains.
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    Notes and News (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 639-639 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Current Crystallographic Books 1970 through 1981 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 640-676 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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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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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    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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    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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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    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.
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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 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    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.
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    Molecular Structures and Dimensions (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 250-250 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    The derivation of the axes of the conventional unit cell from the dimensions of the Buerger-reduced cell (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 255-259 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The identification of twofold axes is straightforward if the cell is based on three of the shortest lattice translations. The distribution of twofold axes in space fixes the lattice symmetry and most conventional cell edges. A program based on this approach has been written. It works for the seven cases with minimum branching of the algorithm.
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    On `spike' diffuse reflections in electron diffraction patterns of diamonds (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 266-274 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The commonest natural diamonds (classification type Ia) contain platelet defects on {100}, usually with mean diameters in the 20 to 100 nm range, which generate disorder diffuse X-ray reflections in the form of (100) spikes through reciprocal-lattice points. Corresponding spikes in electron diffraction patterns of diamonds, recorded with 100 and 120 kV electrons, have been investigated. It has been established that (100) spikes appear most strongly in electron diffraction patterns of diamonds very rich in platelets, and are absent in the case of platelet-free diamonds (types IIa and IIb). Spikes from diamonds containing relatively large platelets are sharper than those from diamonds containing very small platelets. Multiple scattering of electrons prevents measurement of the dependence of spike intensity upon diffraction order as can be done in the X-ray case. Some experiments with spike electron reflections have been performed that are impossible in the X-ray case. It has been shown that when the crystal volume sampled by the electron beam contains only one platelet, then the spike distribution reduces to a pattern containing only spikes normal to the platelet concerned. Also, dark-field weak-beam microscopy has been applied, by selecting one spike only in the diffraction pattern, to identify orientations of small platelets through the imaging of only those platelets normal to the spike selected.
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    Study of adsorption on powders by surface differential diffraction measurements. Argon on Co3O4 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 301-307 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The amplitude and phase of a wave scattered by an adsorbed layer can be deduced from the modifications of the Bragg peak of the powder by adsorption. The treatment of experimental data involves the interpretation of a function of the extra intensity detected and has the advantages of an integrated intensity method. Powders containing crystallites limited by several types of faces can be studied. The Co3O4 sample studied is limited only by (110) and (111) faces of respective areas 11 and 27 m2 g−1. The (111) planes terminating crystallites contain oxygen covering a layer of cobalt in octahedral sites. Other possible terminating layers are ruled out for (111) planes. The structures of the bidimensional layers of argon on (110) and (111) planes are determined.
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    The variance as a measure of line broadening: corrections for truncation, curvature and instrumental effects (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 315-322 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A correction for the unavoidable truncation of line profiles and an improved correction for the inherent curvature of the variance–range function are discussed. An analytical procedure for making the corrections is proposed and applied to theoretical and practical small-crystallite line profiles. An alternative procedure for obtaining the integrated intensity, and hence the integral breadth, and the variance (Fourier) apparent size is also presented.
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    Information content and retrieval in solution scattering studies. I. Degrees of freedom and data reduction (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 289-300 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: As a consequence of several technological developments, the speed and sensitivity of solution X-ray (and neutron) scattering studies have recently risen by factors which may be as large as 105; formal problems – like assessing the information content of the data and retrieving that information in structural terms – have thus become of immediate practical interest. The general problem of the information content of scattering experiments is discussed; its mathematical expression is derived, which depends on both the experimental data (observed values and estimated accuracy) and the a priori stochastic assumptions on the structure of the sample. The practical application of these notions to solution scattering studies involves several steps, three of which – choice of the degrees of freedom, data reduction and error analysis – are dealt with in this work. The first step is to specify the minimal number of independent parameters necessary and sufficient to describe the whole of the scattering properties of the system. Whenever the solute particles are of finite dimensions the entire scattering curve is defined by its values at a one-dimensional lattice; if, moreover, the asymptotic trend of the scattering curves is known, then the degrees of freedom are the ideal intensities at a finite number of points plus a small number of parameters describing the asymptotic trend. It is also possible to include among the degrees of freedom a few subsidiary parameters like the normalization factors. The next step is, starting from a composite set of data, to determine the most probable numerical value of each degree of freedom and to evaluate its range of uncertainty. This is discussed within the framework of variable-contrast studies, assuming that the invariant-volume hypothesis is fulfilled. An algorithm is formulated which treats all the experimental observations and determines simultaneously all the degrees of freedom and the error matrix. The algorithm also allows one to introduce additional linear constraints on the degrees of freedom. As an example, the algorithm is applied to solution X-ray scattering data recorded with a low-density serum lipoprotein. The determination of the maximal chord of the particle – an important parameter in the informational analysis – turns out to be rather tricky.
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    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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    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.
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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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    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.
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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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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    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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    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
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    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.
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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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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    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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    The cation-atom distribution in a (Cr, Fe, Al, Mg)3O4 spinel as revealed from the channelling effect in electron-induced X-ray emission (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 378-381 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The anomalous production of X-rays which occurs when an electron beam is incident on a thin crystal under certain crystallographic directions has been used to study the site occupancy in a chromite from the Stillwater Complex, Montana with approximate composition (Cr0.37Fe0.23Al0.23Mg0.17)3O4. Cr and Al are found to have a strong octahedral and Mg a strong tetrahedral site preference. About 3/4 of the Fe atoms are on tetrahedral sites. Small amounts of Ti and V atoms, about 1/1000 of the total atomic content, are both found to occupy the octahedral sites.
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    Noise level and resolution effects in EXAFS spectra (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 388-390 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The effects of uncertainties in intensity measurements (noise levels) and energy space (energy resolution) in EXAFS spectroscopy are presented and discussed. It is shown that poor energy resolution and high noise levels distort EXAFS information in such a way that phase and amplitude transferabilities are lost.
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    On the topography of chemically etched (00\overline{1}) surfaces of ZnO (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 396-398 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The pyramidally faceted etch topography of the (000{\bar 1}) face of ZnO in 1 mol dm−3 HCl solution is discussed. It is shown that the topography can be regarded as a case of surface reconstruction to minimize surface free energy, with dissolution proceeding at the surface asperities.
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    Specimen preparation of low-melting-point solidified gases for low-temperature powder diffractometry (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 402-405 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The quality of powder specimens in diffraction experiments is very important. Any preferred orientation in the specimen under study affects the observed integrated intensities of the powder peaks and makes them unreliable; thus, results obtained from these intensities hardly appear to be trustworthy. The existing methods of powder preparation were considered to be unsuitable for samples such as isotopic methanes, nitrogen, oxygen, hydrogen, etc. which are gaseous at room temperature and have relatively low melting points. Therefore, a new method was developed for producing fine-grained powder specimens of solidified gases without preferred orientation directly from the gas phase using a specially designed liquid-helium cryostat which allowed visual inspection of the formation of powder in the specimen container. Subsequent neutron diffraction tests proved that the powder specimens prepared by this method were free of preferred orientations.
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    A high-temperature deformation stage for X-ray synchrotron topography. Applications to dislocation mechanisms in silicon (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 412-416 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A high-temperature ( ̃1070 K) tensile stage operating under controlled atmosphere convenient for X-ray synchrotron topography is described. Early results of in situ measurements of dislocation velocities in silicon and an observation of dislocations expanding from the tip of a crack under controlled loading conditions are briefly reported.
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    Determination of the strain concentration factors around holes and inclusions in crystals by X-ray topography (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 423-429 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Long-range, elastic strains emanating from stress raisers, such as holes and inclusions, were investigated in bent silicon crystals which functioned as a model material. The strains and strain interactions were characterized by X-ray Pendellösung fringe topography and were quantitatively evaluated by X-ray intensity measurements of transverse-oscillation topographs. Improvement of strain measurements were obtained by considering the contribution of anomalous transmission to the intensity measurements and by deposition of an appropriate metal film on the developed topograph to heighten the fluorescence of the silver grains in the emulsion. The strain gradient emanating from a bent specimen containing a hole was experimentally determined and the results were compared to calculations based on continuum mechanics having closed-form solution. Good agreement between experiment and theory was obtained. The dependence of strain interaction on interflaw distance was experimentally demonstrated for specimens containing two holes.
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    Profile shape functions in Rietveld refinements (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 430-438 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Reflection profile functions used or suggested for use in Rietveld refinements with fixed-angle or fixed-wavelength powder diffraction data, obtained with neutrons or with X-rays, are reviewed briefly. The fixed-wavelength X-ray case is considered in detail. In tests of fitting to individual resolved reflection profiles, at least eight different profile functions, including some representations consisting of "learned' differentiable number arrays, have been show to be satisfactory at the less than 3% misfit level. Several authors have made comparative studies of subsets of the six analytic functions, Gaussian (G), Lorentzian (L), modified Lorentzian (ML), intermediate Lorentzian (IL), pseudo-Voigt (p-V), and Pearson VII (PVII). In this work, the performance of all six, in Rietveld refinements with data sets from seven different specimens with differing degrees of broadening, have been intercompared on the basis of difference plots, Rwp, and RB. The Gaussian function was consistently the worst performer, while the pseudo-Voigt and Pearson VII were the best. For this reason, for reasons of simplicity, and for convenient though crude physical interpretation of the Lorentz-fraction parameter, the pseudo-Voigt is identified as the function of choice among these six. It is emphasized that a need still exists for a better profile function soundly based on physical reality.
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  • 81
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    Addenda to the optimization of quantitative X-ray diffraction analysis (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 449-451 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The optimization of the quantitative X-ray diffraction analysis given by Szabó [J. Appl. Cryst. (1980), 13, 479–485] is improved in two respects. An easier use of the method for the analyst, a further saving of measuring time and a reduction of the computer running time are achieved.
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  • 82
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    Etude de la solution solide (CH3)4N.Mn1−xCuxCl3 (x=0–0,5) (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 462-463 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The X-ray study of tetramethylammonium trichlorocuprate(II) trichloromanganate(II), (CH3)4N.Mn1 − xCuxCl3 for copper concentrations ranging up to 50% shows that the manganese salt structure is preserved. Lattice parameters for some x values are given.
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  • 83
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    Computer program for the derivation of symmetry operations from the space-group symbols (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 464-467 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program was constructed for the derivation of symmetry operations from the space-group symbols: the program uses the origins of International Tables for X-ray Crystallography [Vol. I (1962). Birmingham: Kynoch Press], or the origins of the symbol, or arbitrary origins fixed by the user. The number of statements is 292, program size in core is 10591 16-bit words. The program is written in Fortran IV.
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  • 84
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    A goniometer for large single crystals (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 469-469 
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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/S0021889882012400
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  • 85
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    Bibliography of Mathematical Crystallography (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 470-470 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 86
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    X-ray powder diffraction of β-aluminas (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 471-475 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The structure of the β-alumina mirror plane is investigated with a powder diffraction technique in several crystals: Ag β, dehydrated Na β and hydrated Na β. At 295 and 423 K, an Ag+ distribution is found which agrees with that reported in the literature. With increasing temperature from 423 to 879 K, the Ag+ fraction in the aBR (anti-Beevers–Ross) sites decreases from 0.34 to 0.15. Hydration of Na β-alumina crystals does not seem to cause an appreciable change in the Na+ distribution. Analysis of the reflection intensities gives the exact quantity of absorbed water.
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  • 87
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    Polymorphism in silver thiocyanate: preparation of a new phase and its chaacterization by X-ray powder diffraction (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 488-492 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A new crystalline phase of silver thiocyanate, AgSCN, has been prepared in the presence of gelatin. X-ray powder diffraction data were indexed for an orthorhombic cell with a = 4.083 (1), b = 7.043 (1), c = 11.219 (2) Å, Z = 4. The crystal structure was solved and refined in Pmnn to RF = 0.11 from 54 peak-height powder intensities. Strongly bonded, approximately linear AgNCS units [Ag–N = 2.00(5) Å] are joined together into a three-dimensional polymeric network by three long Ag–S bonds [2.70(2), 2 × 2.64(1) Å]. The configurations at both Ag and S are intermediate between tetrahedral and trigonal pyramidal.
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  • 88
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    Recording and calculation of hk rod intensities in case of diffraction by highly oriented powders of lamellar samples (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 509-512 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The aim of this paper is to describe a technique for recording the intensity distribution along definite crystallographic directions by using a classical θ,2θ powder goniometer. This method was developed for application to highly oriented powders. In the calculation of simulated spectra, the partial misorientation of the particles is considered. The reflection intensities and profiles are compared for different shapes of the misorientation function N(α).
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  • 89
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    A new minicomputer search/match/identify program for qualitative phase analysis with the powder diffractometer (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 513-523 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Several new techniques have been developed for multi-phase identification using X-ray powder diffractometry. Among these are (1) automatic correction for common systematic errors, (2) probability-based scoring, (3) window-less searching and matching, and (4) additive phase isolation. These new approaches to old problems are appropriate for implementation on a minicomputer and a program has been written which incorporates them. Results obtained from this work have demonstrated success in solving identification problems under a wide variety of circumstances, many of which were previously considered very difficult for computer algorithms. This paper is the first of two intended to describe the new algorithms and their implementation in the program, SANDMAN.
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  • 90
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    Non-centrosymmetry tests for potassium feldspars: an application of the second-harmonic generator technique (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 540-541 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Second-harmonic generator tests for non-centrosymmetry have been applied to five monoclinic potassium feldspars. Four samples yielded null results; one specimen displayed a positive test for non-centrosymmetry.
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  • 91
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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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  • 92
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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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  • 93
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    Chemical vapor deposition 1960-1980, a bibliography edited by D. T. Hawkins (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 579-579 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 94
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    Japan Annual Reviews in Electronics, Computers and Telecommunications (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 580-580 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 95
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    Determination of notch-tip plasticity by X-ray diffraction and comparison to continuum mechanics analysis (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 594-601 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Dislocation-free silicon crystals of ({\bar 2 \bar 1 \bar 1}) orientation with a hyperbolic notch, subjected to tensile deformation at 1073 K, were used as model material for the analysis of the induced plastic zone. The results obtained by X-ray topography and X-ray rocking-curve measurements were compared to theoretical calculations and predictions based on continuum mechanics. Good agreement between experiment and theory was obtained regarding the shape of the plastic zone, the contribution of the active slip systems to the size of the plastic zone and the direction of the maximum plastic strain trajectory in the zone. Discrepancies between experiment and theory regarding the symmetry relation of the plastic zone lobes and the dislocation density near the notch tip were attributed to the interactions and resulting work-hardening. These aspects were not taken into account in calculations of continuum mechanics.
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  • 96
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    An approach to the isotypical and solid solution problems in multiphase X-ray analysis (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 605-610 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In two previous papers, algorithms designed for searching, matching and identifying phases in qualitative X-ray powder analysis were reported [Schreiner, Surdukowski & Jenkins (1982). J. Appl. Cryst. 15, 513–523, 524–530]. This paper extends the searching technique to unknowns containing isotypical phases and solid solutions. Methods are described for distinguishing among isotypical compounds in qualitative analyses, and for permitting the retrieval of phases in a data base that differ from measured patterns by a uniform Δd/d scale factor.
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  • 97
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    The approximation of asymmetric neutron powder diffraction peaks by sums of Gaussians (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 615-620 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Neutron powder diffractometers operating with large vertical counter acceptance angles produce diffraction patterns in which the peaks are shifted and broadened, and may become distinctly asymmetric. It is shown that a sum of Gaussians generally provides a good approximation to these peaks. The sum of Gaussians has been included as an optional description of the profile within an existing profile refinement program. In this application, the sum incorporates a single asymmetry parameter which can be estimated from the diffractometer geometry or determined in the refinement. It is recommended that, in describing asymmetric peaks, the sum of Gaussians be used in place of the simple Gaussian multiplied by Rietveld's semi-empirical asymmetry factor.
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  • 98
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    The sulphate ion in aqueous solution: an X-ray diffraction study of a ZnSO4 solution (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 621-625 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Two distinct X-ray diffraction studies of 2̃ mol dm−3 ZnSO4 solutions were carried out in order to assess the possibility of studying the state of the sulfate ion in water and to verify whether and how structural information depends on possible differences in experimental data. It is shown that the X-ray diffraction method is unable to provide results capable of unambiguous modelling of the SO2−4 coordination; even the complete omission of sulfate-water interactions does not lead to unsatisfactory synthetic structure functions. This conclusion does not seem to be affected by differences in the experimental data; however, some characteristics of the `best' models can be affected by differences in experimental data that are within the limits of experimental uncertainties.
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  • 99
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    Studies on rare-earth carboxylates. IV. Crystal chemical data on Ln(CH3Ch2CH2COO)3.2H2O, where Ln=Nd, Tb, Ho, Er, Tm, Yb or Y (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 39-39 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The rare-earth n-butyrate dihydrates Ln(C4H7O2)3.2H2O (where Ln = Nd, Tb, Ho, Er, Tm, Yb or Y) were synthesized and the structural parameters determined employing X-ray powder diffraction techniques. The salts are isomorphous and possess monoclinic symmetry with space group P21/m and contain four molecules per unit cell. Nd(CH3CH2CH2COO)3.2H2O: a = 12.69 (6), b = 14.34 (6), c = 10.31 (4) Å, β = 97.06 (36)°, V = 1862 Å3, Dm = 1.655, Dx = 1.575 Mg m−3; Tb(CH3CH2CH2COO)3.2H2O: a = 12.74 (2), b = 14.22 (4), c = 10.34 (3) Å, β = 98.02 (16)°, V = 1856 Å3, Dm = 1.666, Dx = 1.633 Mg m−3; Y(CH3CH2CH2COO)3.2H2O: a = 12.68 (2), b = 14.08 (4), c = 10.28 (2) Å, β = 98.57 (16)°, V = 1814 Å3, Dm = 1.423, Dx = 1.414 Mg m−3; Ho(CH3CH2CH2COO)3.2H2O: a = 12.62 (2), b = 14.00 (3), c = 10.22 (2) Å, β = 98.09 (13)°, V = 1789 Å3, Dm = 1.727, Dx = 1.716 Mg m−3; Er(CH3CH2CH2COO)3.2H2O: a = 12.60 (2), b = 14.02 (2), c = 10.19 (1) Å, β = 98.71 (13)°, V = 1780 Å3, Dm = 1.707, Dx = 1.733 Mg m−3; Tm(CH3CH2CH2COO)3.2H2O: a = 12.61 (2), b = 13.96 (2), c = 10.21 (2) Å, β = 98.30 (16)°, V = 1779 Å3, Dm = 1.714, Dx = 1.741 Mg m−3; Yb(CH3CH2CH2COO)3.2H2O: a = 12.64 (1), b = 13.92 (1), c = 10.19 (1) Å, β = 98.32 (10)°, V = 1773 Å3, Dm = 1.745, Dx = 1.762 Mg m−3. The JCPDS Diffraction File No. for Er(CH3CH2CH2COO)3.2H2O is 34-1991.
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    An assessment of diamond turning for the production of silicon X-ray optical elements (1984)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 111-117 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A number of high-perfection single-crystal silicon specimens have been diamond turned under various conditions. Surface roughness was assessed visually and with a Talysurf 5 machine and lattice perfection monitored by double-axis X-ray diffractometry. No significant variation in roughness was found with turning speed and the flatness was approximately 0.1 μm. An increase of integrated intensity and full width at half maximum of the X-ray rocking curve of up to a factor of nine was observed. Most of this damage was shown to be confined to within the first few micrometers from the surface. It is concluded that diamond turning is a viable technique for the fabrication of a range of intricately figured X-ray optical elements including mirrors and high-energy-resolution monochromators, and also medium-band-pass high-intensity-beam conditioners where only one Bragg reflection is used. It is also concluded that X-ray diffractometry is a powerful technique for the investigation of the material damage in advanced machining processes.
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