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  • International Union of Crystallography (IUCr)  (6,930)
  • Copernicus
  • 1975-1979  (6,935)
  • 1945-1949  (296)
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Years
Year
  • 1
    Electronic Resource
    Electronic Resource
    The analysis of X-ray diffraction profiles from imperfect solids by an application of convolution relations (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 6-9 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In this investigation an attempt has been made to correlate the experimentally observed X-ray diffraction profile from imperfect solids with the one obtained theoretically from an approach of simultaneous convolution of the true diffraction profile resulting from the imperfection content of the materials and the instrumental profile, considering realistic distribution functions. The expressions for the intensity distributions are derived from the simultaneous convolution of Schoening's true profile (originating from the Gaussian strain profile and the Cauchy crystallite-size profile) and the instrumental profile having either Gaussian or Cauchy functional forms, and the theoretical forms are compared to those observed from some silver- and copper-base cold-worked alloys and vapour-deposited thin silver films. The agreement is fairly good for both first- and second-order reflections with small deviations in the tail region, which may arise from uncertainty in the background-level estimation, consideration of functions purely symmetrical in form and neglect of absorption and TDS effects. A further agreement of Schoening's true profile with Stokes's corrected deconvoluted true profile implies the validity of Schoening's approximation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878012595
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  • 2
    Electronic Resource
    Electronic Resource
    Model drawing programs:production of diperiodic patterns (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 57-57 
    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/S0021889876010534
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  • 3
    Electronic Resource
    Electronic Resource
    Crystallographers (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 58-58 
    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/S0021889876010558
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  • 4
    Electronic Resource
    Electronic Resource
    On the dielectric behaviour of cadmium iodide polytypes (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 645-648 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The dielectric constants (εr) of cadmium iodide polytypes have been measured and found to be higher than that of the parent 4H structure. For example, whereas the εr for polytypic structures 32H and 34H is between 120 and 150, for the 4H structure it is between 20 and 25. A possible explanation for this decrease is suggested in terms of the occurrence of the stacking faults and their effect on the orientation polarizability of the cadmium iodide crystals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875011533
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  • 5
    Electronic Resource
    Electronic Resource
    Analyse des bandes de diffraction affectées par une fonction défaut instrumentale (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 653-656 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A turbostratic layer lattice is characterized by asymmetric X-ray diffraction bands the shape of which is a function of the average diameter L of the two-dimensional scattering domains. The mathematical relationship between the band shape and L is known. The larger the domains, the narrower and more asymmetric is the band. The band width is also influenced by the instrumental broadening. Consequently the apparent diameter L, is smaller than L. The proposed graphical method allows L to be obtained from L, and from the characteristic parameters of the apparatus. The experimental results can be fitted from the convolution of the theoretical function corresponding to L with the experimentally measured instrumental broadening function.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875011557
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  • 6
    Electronic Resource
    Electronic Resource
    Ein neues Verfahren zur gleichzeitigen Photographie zweier Netzebenen des reziproken Gitters (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 670-673 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A new experimental technique in which direct photographs of two reciprocal planes are taken simultaneously is described. The method combines the advantages of the precession method (a series of reciprocal planes is accessible with the adjustment of a single reciprocal direction) and the de Jong Bouman method (high diffraction angles are possible). Consequently many crystals (e.g. organic ones) may be measured with copper radiation without loss of information. The advantages of the new method and the final construction for practical X-ray diffractometry are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875011570
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  • 7
    Electronic Resource
    Electronic Resource
    The termination effect for amorphous patterns (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 674-677 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Termination of the experimental intensity curve and the use of a convergence factor leads to an uncorrected radial distribution function which is equal to the true distribution function convoluted with a termination factor of the form sin x/x, and with a convergence factor of exponential form. Although the convolution factors are known, a deconvolution of the uncorrected curve to obtain the true radial distribution function is not possible by the usual methods. However, for the case of moderately sharp peaks on a slowly varying background, an approximate method can be developed. For each peak of the uncorrected curve, we introduce a Gaussian A exp [−a2r2] whose convolution with the termination and convergence factors has the same width and height as the peak. These Gaussians are then used for the first step in a deconvolution of the uncorrected curve. Although it is approximate, the resulting curve is closer to the true distribution function than the original uncorrected curve, and the termination ripples have been eliminated. The method is completely objective, and free from all arbitrary adjustments.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875011582
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  • 8
    Electronic Resource
    Electronic Resource
    Crystal data for the tetraphenylarsonium salt of the monoanion of theophylline, [(C6H5)4As] [C7N4O2H7].5H2O (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 686-686 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The title compound crystallizes in the triclinic system with a = 13.13 (1), b= 19.80 (2), c = 12.916 (3) Å, α = 90.01 (5), β = 102.96 (6), γ = 96.45 (7)°, V= 3251.6 Å3.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875011636
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  • 9
    Electronic Resource
    Electronic Resource
    An X-ray study of silver amalgam and its stoichiometry (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 693-694 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The powder diffraction data and the cell constants of silver amalgam crystal (grown from N/50 AgNO3 solution and a globule of mercury) are given. The formula AgHg for the compound is suggested on the basis of X-ray data and chemical analysis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875011661
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  • 10
    Electronic Resource
    Electronic Resource
    Acta Crystallographica and Journals of Applied Crystallography (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 696-697 
    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/S0021889875011703
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  • 11
    Electronic Resource
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    Metallphysik by G. E. R. Schulze (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 698-698 
    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/S0021889875011739
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  • 12
    Electronic Resource
    Electronic Resource
    Données cristallographiques sur le trimétaphosphate de plomb trihydraté Pb3(P3O9)2.3H2O (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 184-184 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The chemical preparation of Pb3(P3O9)2.3H2O is described and crystal data are given. Lead trimetaphosphate trihydrate is tetragonal with a = b = 11.957, c = 12.270 Å. The space group is P41212 or P43212.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889876010868
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  • 13
    Electronic Resource
    Electronic Resource
    A stereographic net for measuring direction cosines (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 185-185 
    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/S0021889876010881
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  • 14
    Electronic Resource
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    Stereographic X-ray reflection topography of dislocations in zinc (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 34-38 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: X-ray reflection topographs were taken of a zinc surface oriented about 1° from a basal plane. Basal dislocations are revealed in the topographs, and their apparent depth was determined using stereo pairs of topographs. The apparent depths observed in a complimentary pair of topographs using 10\bar 13 and \bar 1013 reflections were significantly greater than those observed in an asymmetric pair of topographs in which the same 10\bar 13 reflection was used. This difference is attributed to shifts of the image with respect to the dislocation position. Quantitative estimates of the image shifts and the actual depths of the observed dislocations are obtained from the measurement of apparent depths. Dislocations are visible over the range of depths from 1.7 to 4.5 μm.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889876010443
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  • 15
    Electronic Resource
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    Absolute sign of piezoelectric and pyroelectric coefficients and spontaneous polarization temperature dependence in α-Cu(IO3)2, Nd(IO3)3.H2O and LiIO3 (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 42-47 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The absolute polarity of single crystals of α-Cu(IO3)2 and Nd(IO3)3.H2O, determined by anomalous X-ray scattering techniques, has been related to the sense of the piezoelectric d22 and pyroelectric p2 coefficients in these monoclinic crystals. The absolute sense of d22 in both cases is predictable from a consideration of the behavior of the spontaneous polarization Ps under stress. Ps was calculated on the basis of a simple point-charge and dipole model. The positive sense of p2 in α-Cu(IO3)2 and Nd(IO3)3.H2O (each with magnitudes of about 2 x 10−5Cm−2deg−1: the secondary pyroelectric coefficients are probably nearly an order of magnitude smaller) allows the inference that |Ps| increases with increasing temperature. The absolute sense of d33 in hexagonal LiIO3, determined by Morosin [Private communication (1972) quoted as Ref. 25 of Bergman, J. G. & Crane, G. R. (1974). J. Chem. Phys. 60, 2470–2474] is similarly predictable from the calculated Ps. Turner's [J. Appl. Cryst. (1976). 9, 52] measurement of p3 in LiIO3 combined with Ps also leads to the inference of increasing |Ps| with temperature.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889876010467
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  • 16
    Electronic Resource
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    Crystal data for the complexes of triphenylphosphine oxide (TPPO) and benzyldiphenylphosphine oxide (BDPPO) with cobalt (II) thiocyanate (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 52-53 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystal data for TPPO and BDPPO complexes with cobalt (II) thiocyanate, space group R32 (a = 17.50±0.06 Å, b = 30.99±0.08 Å) and Pbcn (a = 10.10±0.01 Å; b = 20.22±0.03 Å; c= 18.94±0.01 Å), respectively, suggest C2 as the only compatible symmetry for both complexes. Optical, morphological and X-ray powder data are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889876010492
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  • 17
    Electronic Resource
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    Cyanoacrylate: a useful cement for mounting crystals (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 57-58 
    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/S0021889876010546
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  • 18
    Electronic Resource
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    Metals, ceramics and polymers by O. H. Wyatt and D. Dew-Hughes (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 59-59 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889876010595
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  • 19
    Electronic Resource
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    Quantitative scanning electron microscopy edited by D. B. Holt, M. D. Muir, P. R. Grant and I. M. Boswarva (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 60-61 
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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/S0021889876010625
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  • 20
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    Crystal growth by B. R. Pamplin (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 61-62 
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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/S0021889876010637
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  • 21
    Electronic Resource
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    Digital processing of fibre diffraction patterns (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 81-94 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A procedure is described for the digital processing of fibre diffraction patterns to yield a quasi-continuous map representing a central section through the cylindrically averaged intensity transform of the specimen. No assumptions are required about the nature of the specimen other than that it has fibre-type symmetry. The specimen intensity transform can be used to obtain integrated intensities for discrete reflections from microcrystalline fibres that are potentially as accurate as those obtained from crystals. Improved procedures for extracting structure amplitudes from specimens with continuous layer lines are also described.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889876010674
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  • 22
    Electronic Resource
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    Crystal data for 15-O-acetylacerinol and two related triterpenes isolated from Japanese Cimicifuga plants (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 58-58 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Three triterpenes, 15-O-acetylacerinol, simplexyl acetate and O-methylcimiacerol have been obtained from Cimicifuga plants and recrystallized from ethyl acetate. 16-O-Acetylacerinol is tetragonal, space group P43212 or P41212, a = b = 7.7624 (7), c = 98.601 (8) Å, V = 5941.2 Å3; simplexyl acetate is monoclinic, space group P21 or P21/m, a = 15.513 (2), b = 8.3691 (7), c= 11.444 (1) Å, β = 90.33 (4)°, V = 1485.7 Å3; O-methylcimiacerol is orthorhombic, space group P212121, a = 15.940 (4), b = 18.278 (6), c = 9.650 (3), V = 2811.5 Å3. Full structure determinations are in progress.
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    URL: http://dx.doi.org/10.1107/S0021889878012698
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  • 23
    Electronic Resource
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    A simple back-reflexion camera (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 62-62 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188987801273X
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  • 24
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    Trial and error indexing program for powder patterns of monoclinic substances (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 60-61 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method for finding the unit cells from the d values of powder patterns of monoclinic substances is described. An appropriate computer program based on this method is developed and combined with an already existing program [Kohlbeck & Hörl, J. Appl. Cryst. (1976). 9, 28–33] which has treated monoclinic cells as triclinic. In this way, calculation times are obtainable for monoclinic cells approximately five times shorter than those obtained with the previous program alone.
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    URL: http://dx.doi.org/10.1107/S0021889878012716
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  • 25
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    Crystallographers (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 62-63 
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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/S0021889878012741
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  • 26
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    Computer programs for radial distribution analyses of X-ray and electron diffraction data (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 253-254 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A set of Fortran programs for radial distribution function analyses of X-ray and electron diffraction data of liquid and amorphous samples is available. The programs relate, first, to the formation of a reduced intensity function, F(K) ≡ (I − 〈f2〉)/〈f〉2, where I is the coherent scattered intensity in electron units, K is 4π sin &thgr;/λ, and 〈f〉 is the average of the scattering factors. The experimental radial distribution function G(r) = 4πr[ρ(r)−ρ0], is derived as the Fourier sine integral of F(K).
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    URL: http://dx.doi.org/10.1107/S0021889876011163
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  • 27
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    Reliability in automated flatbed microdensitometers (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 257-258 
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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/S0021889876011199
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  • 28
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    Topics in applied physics, Vol. 5. Mössbauer spectroscopy edited by U. Gonser (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 259-259 
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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/S0021889876011242
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  • 29
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    Commission on Crystallographic Apparatus. Index of Crystallographic Supplies: Supplement to the third Edition (1972) (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 65-72 
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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/S0021889878012790
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  • 30
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    Extension of the FIGATOM program to the automatic plotting of layers in close-packed structures: erratum (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 181-182 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A correct version of Fig. 1 of Langlet [J. Appl. Cryst. (1975). 8, 515–519] is given.
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  • 31
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    Manipulator for Gandolfi-attachment X-ray spindles (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 185-185 
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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/S002188987601087X
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  • 32
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    Exact solution of the slit-height correction problem in small-angle X-ray scattering. II. A method for arbitrary slit transmission functions (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 98-101 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A numerical method for calculating the slit-height correction function g(t) corresponding to an arbitrary slit transmission function f(t) is presented. As shown in the previous paper [Deutsch & Luban (1978). J. Appl. Cryst. 11, 87–97], the ideal scattered intensity for pinhole collimation can be calculated given g(t) and measured scattered intensities obtained with finite slit-height collimation. The present method is tested in detail for simulated experimental data and for the rectangular transmission function [for which the exact form for g(t) can be calculated]. The calculated results for the pinhole collimation intensity are only slightly less accurate than those obtained with the exact form for g(t), and considerably more accurate than those obtained using Lake's iterative method.
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    Exact solution of the slit-height correction problem in small-angle X-ray scattering. I. The general method and its accuracy in application to simulated data (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 87-97 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A general method for obtaining the exact solution of the integral equation relating the slit height correction function g(t) and the slit transmission function f(t) is presented. This is achieved by transforming the integral equation so that it is directly solvable utilizing Laplace transforms. An expression for the corrected intensity function in terms of d[g(t)/t]/dt and the measured scattered intensity, without the necessity of differentiating the latter, is also presented. The procedure is tested in detail by applying it to simulated experimental data for several experimentally relevant examples. The key ingredients tested relate to the effects of: (1) discreteness of the data; (2) availability of data for only a restricted range of scattering angles; and (3) data beset with random noise. The procedure yields highly accurate results despite all of these difficulties.
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    Problems in the simulation of dark-field images in X-ray topography and electron microscopy (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 355-356 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The simulation of an image gives the values of the intensity on the exit surface of the crystal; difficulties arise in the representation because the corresponding luminance is not known. This explains the difference between the densitometric responses of the real and the simulated photographs.
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    Crystal data for two new lanthanide acid iodates: Pr(IO3)3.HIO3 and 3La(IO3)3.JIO3.7H2O (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 357-359 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Method of growth and chemical characterization of single crystals of Pr(IO3)3. HIO3 and 3La(IO3)3. HIO3.7H2O are given together with the powder data. Pr(IO3)3.HIO3 is monoclinic, a = 14.237±0.006, b = 7.578± 0.003, c = 10.616±0.005 Å, β = 110.48±0.04° at 298 K with space group P21/a and four formulas perunit cell. 3La(IO3)3.HIO3.7H2O is orthorhombic, a = 13.18008±0.00010, b = 21.72076±0.00010, c = 12.15514±0.00018 Å at 298 K with space group Aba2 and four formulas per unit cell. The hydrated La acid salt generates second harmonics: the pyroelectric coefficient p3 = 2.1 x 10−5 Cm−2 deg−1. Mo K radiation produces a bright orange coloration.
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    Constantes cristallographiques de CuSe2O5, CuSeO3 et Cu2SeO4 (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 364-366 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Crystal data of three compounds in the system SeO2–CuO have been determined from X-ray single-crystal and powder studies. CuSe2O5 is monoclinic, space group Cc or C2/c, with a = 12.254 (5), b = 4.858 (3), c = 7.960 (3) Å, β = 110.7 (1)°, Z = 4. CuSeO3 is monoclinic, space group P21/c, with a = 7.718 (2), b = 8.266 (3), c = 10.529 (3), β = 127.2 (2)°, Z = 8. Cu2SeO4 is cubic, space group P213 or P4232, with a = 8.928 (3) Å, Z = 8. Powder diffraction data are given for all three compounds.
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    Données cristallographiques sur deux phosphates de scandium: Sc(PO3)3 et Sc4(P4O12)3 (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 368-369 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The chemical preparation and crystal data for two scandium phosphates are reported. (a) Scandium tetrametaphosphate, Sc4(P4O12)3, is cubic with a = 14.363 (5) Å, and Z = 4. It is isotypic with Al4(P4O12)3. (b) Scandium polyphosphate, Sc(PO3)3, is monoclinic with a = 10.84 (1), b = 19.58 (2), c = 9.694 (5) Å, β = 97.92 (5)° and Z = 12. It is isotypic with the C form of Al(PO3)3.
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    The development of X-ray analysis by W. L. Bragg (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 260-260 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Absolute sign of piezoelectric d33 and pyroelectric p3 coefficients in LiClO4.3H2O. (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 128-131 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The sense of the piezoelectric d33 and the pyroelectric p3 coefficients for LiClO4.3H2O crystals in point group 6 mm has been related to the absolute polarity and atomic arrangement, with the use of anomalous X-ray scattering techniques. The magnitude of d33 is about 4 × 10−12 CN−1, that of p3 about 3.9 × 10−6 Cm−2 K−1. The absolute sense of the spontaneous polarization Ps is calculated to be antiparallel to the positive c-axis direction. The sense of p3 is negative indicating that the Li+ ions become more deeply embedded in the nearest layers of ClO4− ions, and that |Ps| increases, with increasing temperature. The sense of d33 is positive, indicating that the Li+ ions become displaced further from the ClO4− ion layer under tensile stress.
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    Indexing crystal faces on SEM photographs (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 291-295 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Given a photograph of small crystals, it is often desirable to determine the face indices. This paper describes a straightforward iterative method, incorporated in a computer program, by which the azimuth and polar coordinates of the optical axis of the photographic camera are computed from: the lattice parameters a, b, c, α, β, γ; the assumed indices of the three faces intersecting at a point; and the angles between the zone axes to which the faces belong, as measured in projection on the photograph. This optical axis is required to satisfy two conditions: it should be consistent with the assumed indices, and it should be constant with respect to intersection points throughout the photograph. Using these conditions as a criterion, one can eliminate the uncertainty in the assignment of face indices.
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    Twinning in Ti4O7 (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 391-393 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Twinning has been studied in Ti4O7 crystals. It has been found that they are twinned by reticular pseudomerohedry. The sublattice controlling the twinning has an orthorhombic pseudosymmetry and is obtained from the triclinic cell (a = 5.593, b = 7.125, c = 12.456 Å, α = 95.02, β = 95.21, γ = 108.83°) by means of the transformation (a/b/c)* (½½½/½02/½2\bar 2) (a/b/c)* triclinic. The effect of the twinning on the electron paramagnetic resonance spectra is also reported.
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    Crystal data for lanthanide orthophosphates (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 413-414 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Monoclinic unit-cell parameters for LnPO4 (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb and Dy) have been redetermined from Guinier photographs, and are plotted against effective ionic radii of the lanthanides. Full powder-diffraction data are given for LaPO4 and GdPO4.
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    Crystallographers (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 417-417 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    A simple and rapid coordinate measurement system for large-molecule oscillation photographs (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 416-417 
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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 powder-diffraction identification (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 429-432 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A mathematical model for X-ray powder-diffraction phase analysis is formulated and, based on this model, new identification criteria are established and the conditions under which a solution is optimal are discussed. The proposed concept is illustrated with a three-phase sample problem.
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    Harmoniques sphériques Généralisées, coefficients de Fourier des polynômes de Legendre associés généralisés: exemple d'un programme Fortran (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 441-443 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A computer program for numerical calculation has been written in Fortran which enables Fourier coefficients of associated generalized Legendre polynomials to be obtained in the general case. Thus the generalized spherical harmonics, involved in the quantitative analysis of the distribution function of the orientations of a texture, can be calculated.
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    Application du lissage des raies de diffraction des rayons X à la séparation du doublet Kα1Kα2 (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 460-465 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: It may be very useful to know a mathematical expression which helps reconstruct the X-ray diffraction profile. It is in fact easier to work on one relation I(&thgr;) = f(&thgr;) rather than on a series of experimental points. The relation proposed in this paper, I(x) = A \big[cos\pi{(x-x_o-\delta)\over a}\big]^{n} {K^2 \over K^2 + (x-x_{0})^2},gives a good correspondence between experimental values and the values calculated in the case of a monochromatic source. Its use still remains very simple in the case of a doublet, Kα1 Kα2, which can be expressed as follows: I(x) = I_{K\alpha_{1}}(x) + \textstyle{1\over2} I_{K\alpha_{1}}(x - \Delta). IKα1(x) is given by the previous expression, Δ represents the angular separation of the doublet. Different forms of profiles are used in order to verify the validity of the relation proposed and the results are compared with those resulting from the Rachinger classical method.
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    Structural mechanics from nonlinear optics – the α to β phase transition in quartz (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 476-480 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Second harmonic generation SHG may be used as an experimental technique in structural crystallography. By applying a bond polarizability model to the nonlinear optical coefficients of quartz, the rotation of the SiO4 tetrahedron with temperature is `observed'. Additionally, the oxygen positional parameter x in β quartz is obtained in excellent agreement with previously published X-ray results.
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    The reduced cell: its use in the identification of crystalline materials (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 491-498 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A rapid-identification file for crystalline materials is being prepared from the Crystal Data file. In this new file, each cell is represented in its reduced form, which is unique, primitive, and based on the three shortest noncoplanar vectors of the lattice. Unknown materials can be rapidly matched with the same or related crystals in the file. To identify an unknown crystalline material, a primitive cell is first determined experimentally, then it is reduced and checked against the file for a match. Even if the cell of the unknown lattice is not primitive, identification is still possible by calculating appropriate derivative lattices, reducing them, and then checking the file.
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    The use of structure factors in the refinement of unit-cell parameters from powder diffraction data (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 373-374 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A method is described for the least-squares refinement of lattice constants from powder diffraction data. This method differs from the other analogous methods mainly because it takes into account, for the indexing of the observed peaks, also the structure factors of the reflexions hkl. The refinement is carried out on the weighted observed peaks where the weight wO depends on (1) an individual standard error which takes into account the peculiarities of the peak, and (2) a parabolic function of the &thgr;O value. The description of a computer program based on this method is given.
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    Error analysis of 2π powder data for cubic or uniaxial phases (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 184-189 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The likely error in the 2θ measurement of a particular powder reflection can be bracketed by a self-consistent error analysis. To a specific observed θm value one assigns arbitrary increments {Δθm} and calculates iteratively the corresponding increments of any other θn according to the expression: \Delta \theta_{n} = \sin^{-1} {{{q \sin (\theta_{m} + \Delta \theta_{m})-\sin \theta_{n} \cos \Delta \theta_{n}}\over{\cos \theta_{n}}}}where q is the product of the square root of the ratio of the quadratic factors for (hmkmlm) and (hnknln) and a correction factor for refraction. By considering special coincidences for which the various Δθn's are 0° or nil (0.000X°), one arrives at a likely bracketing interval for Δθm. Continuing this process one computes the indicated errors for the remaining reflections. The intent of the error analysis is to induce the experimenter to seek the cause(s) of the indicated errors in the 2θ determinations, and to delimit more precisely the accuracy of lattice constants of cubic or uniaxial phases.
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    Spherical crystals grown in situ for low-temperature X-ray work on volatile compounds (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 206-206 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Crystal data for 2-nitroso-2-bromo-3,3-dimethylbutane (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 194-195 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Crystals of the title compound crystallize in a body-centered cubic cell with a = 7.697 (3) Å and Z = 2. This substance belongs to a class of highly disordered hexasubstituted ethanes, and is a rare example of a solid-state monomeric nitroso compound.
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    A simple temperature monitor for the PW1100 diffractometer (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 207-207 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Fourth European crystallographic meeting (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 207-210 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Final Report of the International Project for the Calibration of Absolute Intensities in Small-Angle X-ray Scattering (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 196-205 
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    Notes: An international intercomparison project was performed to test the reproducibility and the comparative accuracy of the various absolute intensity calibration techniques in current use in small-angle X-ray scattering with the participation of fifteen investigators from eight different laboratories in six countries. In the project, the absolute differential X-ray scattering cross sections of standard samples of glassy carbon and polystyrene were calibrated using five different calibration techniques and two different X-ray wavelengths. The results have been intercompared with a variety of statistical techniques. It is concluded that angularly dependent errors associated with determining the zero of angle, dead-time corrections, collimation corrections, and insufficiently close data point spacing are more important in accounting for discrepancies between laboratories than are differences in the absolute intensity calibration methods themselves.
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    Peak shifts and peak broadening in powder neutron-diffraction patterns due to finite aperture counters (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 12-13 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The theoretical expressions of Cooper & Sayer [J. Appl. Cryst. (1975), 8, 615] for the peak shift from the true Bragg angle and for the peak broadening in powder neutron-diffraction patterns are confirmed experimentally for detectors with finite aperture. It is shown that these factors can be important even at relatively large scattering angles.
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    Determination of spherical voids in layered structures (void program) (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 21-23 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: An APL program has been written to compute the locations and the radii of spherical voids between two packing layers of atoms, and to obtain plottings which correspond to the various types of standard sheets used for the representation of crystal structures according to the condensed-model technique. Conversational facilities, together with the use of original APL routines, enable the crystallographer to get the results in a few minutes of real time.
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    The study of bones by neutron diffraction (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 124-126 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: High-intensity neutron beams provide a means of measuring the integrated orientation of apatite crystals in bulk samples of bone. With a resolution of 2 mm2 in compact bone and 12 mm2 in trabeculae this promises a tool for the study of the load-bearing function of bone in a variety of anatomical sites.
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    Crystal data for CuGaSe2 (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 130-131 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: X-ray powder data are presented and analysed for the semiconducting compound CuGaSe2, single crystals of which were prepared by a zone-growth technique. Values of a = 5.614 and c = 11.022 Å were determined and diffractometer measurements of intensity were used to establish the positions of the atoms in the unit cell. Some Hall effect and resistivity data are reported and these results indicate that the structure contains native defects with concentrations approaching 0.1%.
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    A computer program for determining multiplicities of powder reflexions (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 134-135 
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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 which determines the multiplicity factors for a given set of X-ray or neutron powder diffraction reflections for crystals of any space group. The value of the multiplicity for each reflection is determined from a look-up table which is indexed by the symmetry type, determined directly from the space-group number, and the reflection type, determined from the Miller indices. There are no restrictions on the choice of indices which are used to specify the reflexions.
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    The problem of white radiation in the measurement of intensities with a solid-state detector: erratum (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 68-68 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In Howard & Jones [J. Appl. Cryst. (1976), 9, 235] the first author's initials should be C.J. and not H.J.
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    Cryogenic X-ray topography using synchrotron radiation (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 91-99 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The application of synchrotron radiation to low-temperature X-ray topographic studies of magnetic materials is described. Details of four successful cryostat designs are presented. It is demonstrated that because of the peculiar properties of synchrotron radiation, X-ray topography at liquid-nitrogen temperature is extremely easy and work down to liquid-helium temperature straightforward. In addition the specimen may be surrounded by other apparatus, in this case an electromagnet, without appreciable loss of resolution. Topographs of antiferromagnetic domains in KNiF3 and KCoF3 are presented, and the first observations by X-ray topography of ferromagnetic domains in a rare-earth metal (terbium) and Jahn–Teller domains in DyVO4 are reported.
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    A photographic plate for electron diffraction studies of high-temperature vapours (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 100-103 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: To protect the emulsion from heat radiation, photographic plates were covered with 10 μm thick aluminium foil. The foil was pasted smoothly with a pressure-sensitive adhesive on to the emulsion. A special device used for pasting the foil is described in detail. Although the sensitivity of the plate is reduced to one third of that of the bare plate for about 56 kV electrons, other properties such as density-exposure relation, reciprocity and photographic fidelity are almost the same as those of the bare plate. The covered plate can withstand radiation from a heat source of 2500°C, about 15 cm away from the plate. With this plate, sectored electron diffraction photographs of gaseous NaF, NaCl and NaBr were obtained.
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    Relations structurales entre GeS2 et GeS2-H.T. (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 202-202 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Space group, lattice parameters and refinement on 235 reflexions of monoclinic GeSe2 show that this phase is certainly isotypic with the high temperature variety of GeS2.
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    A portable apparatus for mounting air-sensitive crystals (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 208-209 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    X-ray diffraction study of the structural change from 2H to 4H in CdI2 crystals (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 243-247 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The structural changes, 2H → faulted 2H → faulted 4H → 4H, in CdI2 crystals, which are caused by successive heat treatments, were studied by X-ray diffraction. The faulted 2H and faulted 4H structures, which give diffraction patterns composed of sharp spots and diffuse streaks, were solved on the assumption that sharp spots arise from the `average structure' and diffuse streaks from a stacking disorder of layers. It was revealed that (1) each of the faulted 2H and faulted 4H structures is maintained unchanged over a certain range of heating temperature and (2) when two kinds of layer, V and V′, are stacked in the faulted structures, a small number of V′ layers are always followed by a large number of V layers.
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    Crystal data for the low-temperature phase of Pb3(VO4)2 (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 132-132 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Pb3(VO4)2 is monoclinic at low temperatures with space group P21. The lattice constants are a = 15.042, b = 6.106, c = 18.586 Å, β = 111.88°. The indexed powder diagram is given.
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    On Soulé-Porod plots of protein X-ray scattering data (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 137-140 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: It is shown that inhomogeneous electron density distribution as represented either by a spherical model containing smaller spheres or by a sphere with radially periodic density does not produce positive slope in Soulé–Porod plots (Ih4 versus h4) of protein small-angle scattering data. It is found that the introduction of small particles into the scattering population can produce the zero or positive slope commonly seen. It is also shown that intersubunit interference is able to account for the low 2&thgr; minimum or dip often observed in Ih4 vs h4 plots of the scattering from multisubunit proteins.
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    Photographing the reciprocal lattice with the axis of the film cylinder intersecting the rotation axis of the crystal at 45° (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 156-166 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: By allowing the axis of the film cylinder to intersect the rotation axis of the crystal at 45°, it is possible to design a compact camera which can be place into a Dewar vessel of diameter 115 mm that can be made of glass. This feature allows the diffraction study of single crystals to be carried out at liquid-helium temperature. A modified equi-inclination method is used and distorted Weissenberg patterns are obtained. The geometrical analyses lead to a comprehensive interpretation of the resulting patterns. Reflections can be indexed by graphical methods. Diagrams for indexing rotation, zero and nth-layer photographs are given.
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    Structural transformation of tricalcium silicate during hydration (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 270-276 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The structures of anhydrous calcium silicates Ca3SiO5(C3S), Ca2SiO4 (β-C2S and γ-C2S) and CaSiO3 (CS) have been examined and compared whereas the hydration products of the main cement component C3S have been studied by radial electron density distribution (RED) and infrared (IR) spectroscopy. The polymerization of the initially isolated silica tetrahedra in the course of the hydration process of C3S has been recognized by several authors as the responsible agent of the mechanical resistance developed during the hardening. In this work, the invoked polycondensation has been directly proven by the appearance in the RED curves, between 12 and 48 h, of Si–Si vectors at 3.1 Å and of half-a parameter contributions at 5.65 Å, which represent typical structural features of the poorly crystallized tobermorite-like CSH residue. Independently, this structural transformation was also followed in IR spectra by the shift of the orthosilicate (C3S) Si—O stretching doublet 935–890 cm−1 toward a single higher-frequency band at 975 cm−1. Finally, assuming a linear hydration process, synthetic mixtures of the RED profiles of the three main components, i.e. C3S, tobermorite and CH, account reasonably, within the first 6 Å region, for the sample's RED profiles observed after up to 5 d hydration (63%).
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    Measurements of integrated intensity near the absorption edge with synchrotron radiation (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 321-324 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: By the use of synchrotron radiation at Stanford, the integrated reflection intensities were measured on 222, \bar 3\bar 3\bar 3 and \bar 5\bar 5\bar 5 reflections from a GaAs single-crystal plate in the energy region very near the Ga K absorption edge. The energy dependence of the intensities agreed reasonably with the corresponding calculated curves.
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    Simulation de topographies X (méthode de Lang) de domaines ferromagnétiques (Dijkstra–Martius) dans le fer–silicium (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 328-337 
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    Notes: X-ray section topographs of Dijkstra & Martius [Rev. Mod. Phys. (1953), 25, 146–150] magnetic domains in silicon–iron (2.4 wt. % Si) were simulated by means of a Fourier-transform numerical resolution of the Takagi–Taupin equations which describe X-ray propagation in distorted crystals. Two types of incident wave were used: a plane wave limited by a narrow slit at the entrance of the crystal, and a cylindrical wave centred at a distance of 10 to 50 cm from the crystal along the incident-beam direction. The agreement with experiments made by Schlenker & Kléman [J. Phys. C: Solid State Phys. (1971), 32 (Suppl.), 256–257] is good in the case of reflexions such as Co Kα11\bar 10 or Mo Kα1 1\bar 10, for which the magnetostrictive distortion field due to the junction of magnetic domains may be neglected, and only the discontinuity of the magnetostrictive distortion across a domain wall is taken into account in the computation. For the reflexion Mo Kα1 2\bar 20 the simulation does not exhibit the experimental contrast observed at the location of the 180° walls. A fair agreement with the experiment is, however, observed regarding the other features of the topograph.
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    A further solution for a two-dimensional model of crystal-growth disorder (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 344-348 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The paper refers to a previously described two-dimensional model of crystal-growth disorder in which the type of molecule or atom at a given lattice site is dependent on the previous neighbour in the two crystal directions. It is shown that a special case of the model for which some mathematical and simulation results have been published corresponds to the situation when the statistical properties of the lattice are symmetric to reflection in a plane. This symmetry may be achieved by applying a constraint to the growth probability parameters and, moreover, enables a solution to be found for the statistical properties of the lattices.
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    Piezoelectric constants of α-quartz determined from dynamical X-ray diffraction curves (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 354-355 
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    Notes: A steep inclination of the rocking curves of the dynamical X-ray reflections obtained with a three-crystal spectrometer was utilized to determine the piezoelectric constants of α-quartz. Preliminary results show that this method is generally accurate and sensitive to rapid angular shifts of the rocking curves. The constants d11 and d14 were measured to be 6.67 × 10−8 and −2.7 × 10−8 (c.g.s. e.s.u.), respectively.
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    Crystal data for two salts of propionic acid: Ca(C2H5CO2)2.H2O and Sr(C2H5CO2)2.H2O (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 357-358 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The calcium and strontium propionate monohydrates crystallize in the monoclinic space group P21/c and in the orthorhombic space group Pbca respectively. Their unit-cell parameters and indexed powder patterns are reported.
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    A method for preventing crystal slippage in macromolecular crystallography (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 365-365 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Crystallographers (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 293-293 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes and News (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 366-367 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Contribution de la diffraction neutronique à l'étude de la fonction texture du titane recristallisé, comparaison avec le diffraction des rayons X (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 372-375 
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    Notes: Neutron diffraction has been used to obtain complete and normalized direct pole figures of recrystallized titanium sheets; only the transmission method was used for two kinds of samples, the first spherical and the second cylindrical with diameter equal to the height. The orientation distribution function of the crystallites was computed from four measured pole figures. Results of pole figures and of distribution functions are compared with those obtained by X-ray diffraction, by a reflection–transmission method on a thin sample, and only in reflection on a composite sample.
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    Fourth International Conference on Small-Angle Scattering of X-rays, and Neutrons, Gatlinburg, Tennessee, USA, 3-7 October 1977 (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 295-296 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Asymmetric X-ray Bragg reflexion and shallow strain distribution in silicon single crystals (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 287-290 
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    Notes: Criteria are given for making use of an asymmetric Bragg reflection of X-rays to analyse a shallow strain distribution near a crystal surface. The shallowness and the resolution of the strain impose opposing conditions on the asymmetry: extreme asymmetry favours the observation of shallow layers but symmetric reflection gives better resolution of the strain. As an example of a compromise, the 422 reflection of Cu Kα1 X-rays was selected for the strain determination in a (100) Si wafer prepared so as to contain phosphorus diffusion. The rocking curve recorded with a triple-crystal diffractometer (angular spread of the collimated X-rays 0.1′′) showed fine agreement with the theoretical curve computed from a strain distribution: its surface value is −4.3 × 10−4 and the depth at which the value is one-tenth of the original is 1 μm. The distribution profile was assumed to be proportional to that of the phosphorus concentration, which was measured separately; the latter surface value was 1.4 × 1020 atoms cm−3. The proportionality coefficient estimated here, 3.07 × 10−24, was 1.79 times the coefficient for uniform doping; this multiplication factor can be explained in terms of elastic stiffness coefficients. Thus it was confirmed that X-ray rocking curves are effective tools for strain determination even at such depth and magnitude of strain and that proportionality still holds between strain and phosphorus distributions with a coefficient depending on crystal orientation.
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    A comparison of the porosities of the β-phases of (4-methylpyridine)4Ni(NCS)2 and (4-vinylpyridine)4Co(NCS)2 (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 315-320 
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    Notes: The channel systems of (4-methylpyridine)4Ni(NCS)2 and (4-vinylpyridine)4Co(NCS)2 are described and compared. Much similarity is found and the minimum diameters of free passage are estimated in each case. It is concluded that both complexes are clathrates with notable zeolitic properties.
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    Laser-induced twinning in ferroelastic Gd2(MoO4)3 (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 349-350 
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    Notes: Gadolinium molybdate was twinned by irradiating the crystals for a few seconds with a 10.6 μm CO2 laser. Slit-shaped regions were irradiated to produce localized heating, thereby setting up suitably oriented thermal stresses of sufficient size to induce mechanical twinning. Ferroelastic twin patterns are difficult to control by this method because the required slit orientations are not parallel to domain-wall directions.
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    Chart of accessible regions in reciprocal space when beam-to-crystal surface angles are limited (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 487-488 
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    Notes: A chart has been constructed which shows accessible regions of reciprocal space when the angles between the crystal face and both the incident and diffracted beams are limited to ≥ δ° and the normal to the crystal lace lies in the plane defined by the two beams. Both 'reflection' and `transmission' geometries are considered. The chart is helpful in the design of various diffraction experiments with facetted crystals larger than the incident beam. As an example, it is shown how the chart can be used to help choose a sample geometry for the measurement of X-ray Debye–Waller factors in β-tin.
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    Crystal data for cycasin, methylazoxymethyl β-D-glucoside (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 491-491 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Crystals of cycasin were grown from solution in absolute ethyl alcohol at 0°C. The unit cell is monoclinic P21/c, with crystal data: a = 15.754±0.001, b = 9.708±0.001, c = 15.422±0.001 Å, β = 109.83±0.005°, Z = 8, Dm = 1.49, Dx = 1.51 g cm−3.
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    A computer program for the determination of cavity shapes and dimensions in crystal structures (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 496-496 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program for three-dimensional location of cavities in crystal structures and packing-density checks is presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889877014095
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    Marking of spherical crystals for identical re-mounting (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 503-503 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889877014149
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  • 89
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    Crystallographers (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 507-507 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889877014198
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    One day symposium on X-ray diffraction and spectrometry to discuss the (UK) draft ionising-radiation regulations 1978, London, 12 July 1977 (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 505-507 
    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/S0021889877014186
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  • 91
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    Microscopica acta edited by L. Jenny (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 510-510 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889877014253
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  • 92
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    Curve analysis of small-angle scattering by triaxial body models using a graphic display device (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 628-628 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An interactive program using a graphic display device for the analysis of small-angle scattering has been developed. It includes the curve fitting of experimental data to theoretical results calculated through a triaxial body approximation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889879013510
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  • 93
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    Computer program for radial distribution analysis of X-ray, neutron and electron diffraction data (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 634-635 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A rapidly converging radial distribution least-squares program (RADILS) is available for the analysis of X-ray, neutron and electron diffraction data from liquid and amorphous materials. The program automatically generates a radial distribution function, G(r), essentially free from termination effects and determines the empirical background scale and shape, absolute scale factor, bulk density and coordination numbers, disorder parameters and interatomic distances for the first few highly ordered distances in the sample.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889879013534
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  • 94
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    A search–match system for X-ray powder diffraction data (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 629-634 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program which can identify the crystalline component phases of a mixture from its X-ray diffraction pattern is described. The program uses the data base of powder diffraction patterns maintained by the Joint Committee on Powder Diffraction Standards. The `reverse searching' technique employed permits the identification of each component and provides an estimate of confidence in the identification. Errors in measured spacings and intensities are tolerated by the program. The interactive search-match system is available for general use via a networked timeshared computer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889879013522
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  • 95
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    Density-contrast studies of macromolecules in solution. Cross verification of X-ray scattering and pycnometry experiments (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 466-472 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The density-contrast method, commonly used in X-ray (and neutron) small-angle scattering studies of macromolecules in solution, can yield a wealth of information if; (a) the solute is monodisperse and the solution is ideal: (b) each macromolecule in solution has a volume associated with it inside of which the density distribution is independent of the density of the solvent. More specifically it has been pointed out that in this case an expression of the molecular weight can be obtained which does not involve the partial specific volume, provided that the X-ray experiments are performed on an absolute scale. On the other hand, it is well known that X-ray scattering experiments on an ideal solution of identical macromolecules can yield the molecular weight for any composition of the solvent, provided solute, solvent and partial specific volumes are defined and measured at constant chemical potential. Therefore a combination of X-ray scattering and densimetry experiments allows one to verify to what extent condition (b) holds true. Such a set of experiments has been performed on Rhesus monkey low-density serum lipoproteins, the solvent being water containing variable amounts of NaBr. It is concluded that in this case condition (b) is fulfilled. Moreover several important aspects of the analysis of the X-ray scattering curves can be verified.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013606
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    The measurement of the locations and radii of gyration of proteins in the 30S ribosomal subunit of E. coli by neutron scattering (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 479-482 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The theory of the technique currently in use for measuring distances between subunits in macromolecular aggregates by neutron small-angle scattering is outlined. It is shown that estimates for the radii of gyration of subunits within aggregates can be extracted from neutron distance data, in addition to the distances themselves. The current status of efforts to apply these methods to determine the structure of the E. coli ribosome is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013643
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    Neutron scattering from chromatin in relation to higher-order structure (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 484-486 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Chromatin fibres containing histone H1 as well as the DNA and histones H2A, H2B, H3 and H4 show the same off-meridional diffraction maxima at ̃10 nm as reported by Carpenter, Baldwin, Bradbury & Ibel [Nucleic Acids Res.(1976), 3, 1739–1746] for chromatin fibres depleted of histone HI. It is shown that the intensity of the maximum (as a function of solvent scattering-length density and deuteration of histones and DNA) can be quantitatively explained in terms of a globular protein component to the chromatin subunits in a matrix of hydrated DNA. The off-meridional diffraction maximum suggests that the chromatin is in the form of a flat helix and clearly the relative amounts of protein and hydrated DNA vary along the length of the chromatin fibre.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013667
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  • 98
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    Sur une nouvelle forme cristalline de GeSe2 (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 325-327 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Single crystals belonging to a new modification of GeSe2 have been prepared by several methods. This new form appears orthorhombic with parameters a = 7.037±0.30, b = 11.826±0.010, c = 16.821± 0.040 Å and z = 16. The measured density is 4.35±0.040 g cm−3. The space group has not yet been determined because cutting thin X-ray samples from large as-grown crystals induces considerable cleavage.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875010527
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  • 99
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    Etude des défauts dans des monocristaux naturels de topaze. II. Etude de genèse (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 315-324 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Two samples of monocrystal topaz from Nigeria and Brazil are studied by X-ray topography. The plates are obtained by cleavage and in both growth bands are observed. These bands are parallel to the different faces of the morphology and are grouped in sectors. The limits between two adjacent growth sectors induce more or less misorientation. Observations of topographs allow the reconstruction of different stages of crystal growth.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875010515
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  • 100
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    Al2SiO5, Al2GeO5 and Cr2GeO5 kyanites: X-ray powder data and infrared absorption spectra (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 329-332 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Kyanite phases Al2SiO5 (I), Al2GeO5 (II) and Cr2GeO5 (III) were synthesized at 20 kb/1000°C (I, II) and at 1 atm/1150°C (III). Powder X-ray patterns for II and III are presented in comparison with that of I. Triclinic lattice constants are a0 = 7.127 (7.253, 7.422), b0 = 7.858 (8.011, 8.244), c0 = 5.570 (5.649, 5.815) Å, α = 89.99 (89.97, 90.58), β = 101.22 (101.23, 101.10), γ = 106.04 (106.05, 106.01)°, and V0 = 293.6 (308.9, 339.9) Å3 for the kyanite phases I (II, III, respectively). Infrared absorption spectra of I (II, III) were measured between 1400 and 200 cm−1. Band shifts produced by the isomorphous substitutions allow tentative band assignments of the Al2SiO5-kyanite spectrum: 1032, 1009, 940 cm−1 ν3 (SiO4); 898 cm−1 ν1 (SiO4); 720, 438 cm−1 ν4, ν2 (SiO4) ?; banes between 674 and 505 cm−1 and at 467 cm−1 are mainly due to octahedral Al–O vibrations.
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    URL: http://dx.doi.org/10.1107/S0021889875010540
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