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  • Wiley-Blackwell  (16,249)
  • American Physical Society  (9,780)
  • Springer Nature  (8,032)
  • International Union of Crystallography (IUCr)  (2,784)
  • 1995-1999
  • 1980-1984  (19,421)
  • 1975-1979  (17,424)
  • 1925-1929
  • 1982  (19,421)
  • 1978  (17,424)
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  • 1995-1999
  • 1980-1984  (19,421)
  • 1975-1979  (17,424)
  • 1925-1929
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  • 1
    Electronic Resource
    Electronic Resource
    A general, weighted least-squares method for the evaluation of small-angle X-ray data without desmearing (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 73-79 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In order to avoid some of the disadvantages associated with the desmearing methods, a procedure has been developed where the smeared, primary, intensity data can be evaluated directly without desmearing. The procedure consists of the following: first, a model depending on a vector of unknowns, x = (x1, ...., xn), is constructed; then, an iterative search is made for the vector x, and a scale factor s, which corresponds to a local minimum in the error square sum based on the primary, slit-smeared, intensity data. The main advantages with the present method are that the comparison between theory and experiment is made directly with the experimental quantity; thus the experimental errors can be considered in this comparison. Furthermore, some of the disadvantages associated with the desmearing methods are avoided; the method is numerically stable and no extrapolations outside the measured angular range are necessary. Several data sets measured at different concentrations and with different, completely arbitrary, primary-beam weighting functions can be considered in the same refinement. The interparticle scattering effect may also be included in the least-squares refinement. The method is general, so that different models can be tested simply by changing only one subroutine of the computer program. It may also be used to evaluate data impaired by other types of resolution errors; for example, effects due to polychromatic radiation or resolution errors in neutron scattering. Two constructed examples of the application of the method are given: (1) the calculation of the dimensions and the molecular weight of particles with a shape which can be approximated with an ellipsoid of revolution; (2) the calculation of the dimensions and electron-density distribution for spherical particles.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878012807
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  • 2
    Electronic Resource
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    The analysis of single-crystal Bragg reflections from profile measurements (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 114-120 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is described for finding the peak limits of a Bragg reflection from an analysis of its profile. A `window' of ± 0.67σ[φ)(x)] is set up on each ordinate φ(x) in the tails of the profile and the pattern of the following ordinates is observed through the window. As the ordinate moves from the peak to the background the pattern changes and the limits of the peak may be recognized. Bragg reflections from three crystals have been analysed by this method and the limits found were generally wider than those determined by the method of Lehmann & Larsen [Acta Cryst. (1974), A30, 580–584] applied to the same data. The value of σ(I)/I was near the minimum and similar to the value from the corrected Lehmann–Larsen limits. The behaviour of the methods is also compared by representing the reflections by equivalent Gaussian profiles, and it is found that 〉99% of the Gaussian peak is within the limits found by the present method.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878012856
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  • 3
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    Scherrer after sixty years: A survey and some new results in the determination of crystallite size (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 102-113 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Existing knowledge about Scherrer constants is reviewed and a summary is given of the interpretation of the broadening arising from small crystallites. Early work involving the half-width as a measure of breadth has been completed and Scherrer constants of simple regular shapes have been determined for all low-angle reflections (h2 + k2 + l2 ≤ 100) for four measures of breadth. The systematic variation of Scherrer constant with hkl is discussed and a convenient representation in the form of contour maps is applied to simple shapes. The relation between the `apparent' crystallite size, as determined by X-ray methods, and the `true' size is considered for crystallites having the same shape. If they are of the same size, then the normal Scherrer constant applies, but if there is a distribution of sizes, a modified Scherrer constant must be used.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878012844
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  • 4
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    Optimum resolution in X-ray energy-dispersive diffractometry (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 137-140 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The resolution problem in X-ray energy-dispersive diffractometry is discussed. It is shown that for a given characteristic of the solid-state detector system and a given range of interplanar spacings, an optimum scattering angle can be easily found for any divergence of the incident and scattered beams.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188987801290X
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  • 5
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    Spherical monocrystals for X-ray work obtained by plasma remelting of alloy powder (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 148-150 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Spherical crystals of alloy phases too hard and brittle for grinding can be obtained by partial remelting and solidification of a powder sample. The alloy powder is blown through an argon-plasma jet melting the surface material of individual fragments, which solidify again as nearly perfect spheres. The yield is a mixture of different materials in which it is possible, however, after heat treatment to find good single crystals of the original composition. Spherical single crystals of Cu9Al4 have been produced by this method and used for a high-precision X-ray investigation described elsewhere.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878012923
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  • 6
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    Crystal data and crystal growth of PbGe3O7 (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 157-158 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Completely transparent and colourless single crystals of PbGe3O7 were grown from a melt of composition PbO.2GeO2 at 1040 K by spontaneous crystallization. The compound melts incongruently at 1070 K. The unit cell is orthorhombic with lattice constants a = 5.270 (2), b = 14.088 (4), c = 16.054 (4) Å; D293 = 5.94 (4), Dx = 5.985 g cm−3 for Z = 8. The probable space group is Pcab (D152h). A reported phase of composition PbGe205 is shown to be a mixture of PbGe3O7 and α-PbGeO3. X-ray powder data are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878012972
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  • 7
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    The absorption factor for a cylindrical specimen perpendicular to a cylindrical beam of the same radius. Application to the X-ray study of CsDNA with the use of synchrotron radiation (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 238-242 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An X-ray diffraction study of CsDNA has been carried out with the use of synchrotron radiation of wavelength λ = 1.2 Å. The geometry corresponds to a cylindrical specimen brought into a cylindrical beam of the same diameter and the absorption factor and the primary-beam attenuation factor have been calculated as functions of specimen μR for this geometry. The optimum size of a specimen is here about 1.5 times greater than that in the case of a plane-parallel beam used in International Tables for X-ray Crystallography [Vol. II, (1967), 2nd ed., p. 295. Birmingham: Kynoch Press]. Experimental and calculated primary-beam attenuation factors have been compared and the experimental value of the linear absorption coefficient μ of CsDNA has been estimated for various humidities. The agreement between μc = 78.1 and μo = 78.2 ± 3.6 cm−1 (relative humidity 66–75%) indicates that the geometrical model used is suitable to describe polymer fibres in a cylindrical beam of nearly the same size. It is seen from the observed μ values that there is one caesium ion per nucleotide (monomer unit of DNA molecule) in the specimens used.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013230
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  • 8
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    Crystal technology by W. L. Bond (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 293-294 
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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/S0021889878013424
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  • 9
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    Notes and News (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 293-293 
    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/S0021889878013412
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  • 10
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    Electron and photn interactions with atoms edited by H. Kleinpoppen and M. R. C. McDowell (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 294-294 
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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/S0021889878013436
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  • 11
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    Recent developments in polymer applications of small-angle neutron, X-ray and light scattering (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 346-375 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Recent advances in the small-angle scattering of X-rays, neutrons and light by polymers are reviewed. The three techniques are compared, from both experimental and theoretical points of view. Applications are discussed for the study of homophase and heterophase polymers, both in solution and in the solid state, as well as for unoriented and oriented crystalline polymers.
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    URL: http://dx.doi.org/10.1107/S0021889878013485
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  • 12
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    On the conformation of antibodies in the presence and absence of antigen (small-angle X-ray studies) (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 477-477 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The conformations of different IgG antibodies were studied before and after interaction with antigen (hapten). In every case a strong change of the conformation was observed. Binding of hapten caused a decrease of the radius of gyration by 2 to 8% and a decrease of the volume by 3 to 10%, depending on the degree of saturation with hapten. Two IgG antibodies (anti-poly-d-alanyl) were split by enzymes into fragments which contain one binding site (Fab′) and two binding sites (Fab′)2, respectively, for hapten. No changes of conformation were observed with these fragments upon the interaction with hapten. These findings lead to the conclusion that the conformation change does not take place within the area of the combining site but relatively far away, at the area of the hinge region and/or the Fc-fragment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013631
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  • 13
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    Design study of a time-of-flight small-angle diffractometer for a pulsed neutron source (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 464-465 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A design study was made of a neutron small-angle scattering (SAS) instrument for use at Argonne National Laboratory's proposed Intense Pulsed Neutron Source, IPNS-II (Carpenter & Werner, 1976; Werner, 1977; Carpenter, 1977). The instrument design incorporates several features: a converging-slit collimator, wavelength band-limiting choppers, capacity for large samples, and a two-dimensional detector. Machine design-dependent parameters are considered in a Monte-Carlo code that produces estimates of the instrumental resolution function and available flux at the sample. It was found that the calculated flux on sample exceeds that at steady-state reactor instruments of comparable resolution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S002188987801359X
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  • 14
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    Large-angle X-ray diffuse scattering, a new method for investigating changes in the conformation of globular proteins in solutions (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 473-477 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A comparative analysis of the sperm-whale myoglobin structure in the crystal and in solution has been carried out with the technique previously formulated by the authors which uses the large-angle X-ray diffuse scattering for investigating the protein structure in solution. A `modified cube method', correctly taking into account the cavities within the protein molecule accessible to the solvent, is proposed for an accurate estimate of the solvent influence and for calculation of the scattering intensities. A comparison of the theoretical myoglobin scattering curves with the experimental scattering curve of this protein obtained by Stuhrmann shows rather noticeable quantitative divergences, which can be eliminated by a small increase in the distance between the `hairpin' GH and the other part of the protein molecule. It is also shown that several other physically reasonable shifts of helices (or groups of helices) do not lead to an agreement between the experimental and theoretical scattering indicatrices.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013618
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  • 15
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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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  • 16
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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.
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    URL: http://dx.doi.org/10.1107/S0021889878013643
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  • 17
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    Neutron-scattering studies of chromatin subunits under a variety of contrast conditions (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 483-484 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Neutron-scattering studies of chromatin core particles in solutions containing various mixtures of D2O/H2O and small molecules (glycerol) show that the water closely associated (or bound) with the particles is largely in the outer DNA-rich regions. This confirms the fact that the particles contain a core composed of the hydrophobic regions of histone proteins.
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    URL: http://dx.doi.org/10.1107/S0021889878013655
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  • 18
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    Small-angle X-ray scattering studies on polymer chain conformations in concentrated solutions and in bulk (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 514-519 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The use of the polymers tagged with heavy atoms in random positions along the chains (randomly tagged polymers) in small-angle X-ray scattering is proposed as a new method for measuring the chain conformations in concentrated solutions and in bulk polymers. The experimentally determined excess scattering from the tagged chains dispersed in the system is shown to be proportional to the scattering function of the hypothetical chains that have no tags but have the conformation of the tagged chains when the heavy atoms have sufficiently large scattering power. It has been experimentally verified that the effect of the tags on the chain conformation can be eliminated by the extrapolation of the apparent values, measured for a series of tagged polymers with various tag content, to zero tag content. The radii of gyration of the polystyrene chains (M = 1.1 × 105) in the bulk and in concentrated solutions in a good solvent and a θ-solvent have been determined. The chain dimension in a good solvent (toluene at 25°C) decreases rapidly first and then gradually approaches the unperturbed dimension with increasing polymer concentration. The dimension in a θ-solvent (trans-decalin at 21.2°C) is independent of the polymer concentration. The conformation of the polystyrene chains in the bulk was found to be a Gaussian coil.
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    URL: http://dx.doi.org/10.1107/S0021889878013771
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  • 19
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    Small-angle X-ray scattering of polyethylene single-crystal suspensions (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 525-530 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Small-angle X-ray scattering from oriented mats and random suspensions of polyethylene single crystals has been studied. A modification of the Guinier equation for platelets was derived to accommodate the two-phase nature of polymer lamellae. This modification also permitted the modelling of various degrees of interaction between lamellae and suspending media. Dried crystal mats show an increase in fold period on contact with potential solvents. Crystals which have never been dried show no evidence of penetration of the fold surface by the same liquids. Apparently the drying process causes a reorganization of the surface of the lamellae. Since the fold surfaces of crystals in suspension are unaffected by the liquids used, it is reasonable to assume a `tight' fold surface model. Crystallinities calculated with this model are in excellent agreement with recent differential scanning calorimetric data on crystals kept in suspension.
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    URL: http://dx.doi.org/10.1107/S0021889878013795
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  • 20
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    Organization in semi-dilute polyelectrolyte solutions observed by small-angle neutron scattering (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 519-523 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The study of semi-dilute polyelectrolyte solutions by small-angle neutron scattering shows that the correlation function S(q) of all the chains presents a peak for a value q = qh of the scattering vector q. This is taken as evidence for some organization among the elongated polyions. This phenomenon has been observed for a fraction of polymethacrylic acid of very low molecular weight. The experiments show essentially: (1) the progressive vanishing of the peak with the addition of a neutral salt at constant polyelectrolyte concentration; (2) the variation of qh with the polyelectrolyte concentration c, qh ∝ c1/2; (3) the decrease of the peak intensity as the charge density of the chain increases. These results, which indicate the important role of the electrostatic interactions on this organization phenomenon, are discussed in terms of a lattice model and a recently proposed isotropic model.
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  • 21
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    Determination of the interface distribution function of lamellar two-phase systems (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 535-539 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The concept of interface distribution functions [Ruland (1977). Colloid Polym. Sci. 255, 417–427] has been applied to the evaluation of the small-angle scattering of a series of polyethylene samples. The results indicate that the statistics of the lamellar stacking is not necessarily determined by next-neighbor interactions and that non-negligible volume fractions of amorphous domains outside the lamellar systems are observed in a number of samples.
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    URL: http://dx.doi.org/10.1107/S0021889878013813
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  • 22
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    A dynamic study of the crystallization of polyethylene from the melt (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 551-557 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystallization of a linear polyethylene from the melt was followed in situ with the ORNL 10-meter SAXS camera [Hendricks (1978). J. Appl. Cryst. 11, 15–30]. Specimens were rapidly cooled in the X-ray beam in tandem birdcage furnaces from 1̃80°C to temperatures between 115 and 126°C, and scattering patterns were recorded for 30 s in 50 s intervals. Because of this relatively high-speed data acquisition rate, it was possible to obtain data in time periods which were short compared to the rate of change of the scattering patterns. The SAXS curves showed shapes which changed continuously during crystallization. The scattering curves are the superposition of a zero-angle peak and a Bragg maximum. Guinier plots of the zero-angle peak manifest scattering by lamellae of constant thickness. The thickness value is nearly that expected for crystallites at these crystallization temperatures. A model in which skeletal spherulites form and then later fill in is consistent with these results. Decreasing SAXS intensity and changing Bragg peak intensities indicate crystal thickening during cooling to room temperature.
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  • 23
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    Small-angle X-ray scattering from block copolymers as an ideal model system for a pseudo two-phase solid texture (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 558-563 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The microdomain structure of polystyrene-polyisoprene A-B type block copolymers was analysed by small-angle X-ray scattering (SAXS) as an ideal model system for a pseudo two-phase solid structure. The structure was analysed in terms of spatial distribution, size, and the interracial structure of the dispersed domains of one component (A segments) in the matrix of the other (B segments). The SAXS analyses were performed with two collimating systems, a Rigaku Denki camera (essentially a four-slit system with the addition of Soller slits) and a Kratky camera, which had widely different slit-length and slit-width weighting functions and was used to investigate instrumental effects, especially the role of the Soller slits in the obtaining of reliable desmeared intensity data in the tail of the SAXS curve. Comparison of the results indicated that the Soller slits facilitate the accurate evaluation of the interfacial thickness from the desmeared intensity data in the tail. The accuracy of the infinite slit-height approximation and the effect of truncating the higher-order terms in Ih (the intensity associated with the interphase) on the estimated interfacial thickness are discussed. The infinite slit-height approximation leads to values 25–35% smaller than the exact value (23 Å), and the truncation also leads to a value of the interfacial thickness smaller (19 Å) than the value (23 Å) based on the full analysis. The value obtained is in good agreement with the values predicted from the statistical-mechanical theories of block copolymers in bulk.
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    Neutron small-angle scattering study of phase decomposition in Au–Pt (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 572-577 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Isothermal decomposition of a Au-60 at.% Pt alloy, quenched from the solid as well as the liquid state, has been studied with the D11 neutron small-angle scattering spectrometer at ILL, Grenoble. An incident neutron wavelength of 6.7 Å was used and measurements were carried out in the range of scattering vector [β = 4πsin θ/λ] from 2.8 × 10−2 to 21 × 10−2 Å−1. The preliminary results indicate that decomposition of this alloy at 550°C takes place by a spinodal mode, although deviations were observed from linear spinodal theory, even at very early times. Slower aging kinetics were observed in liquid-quenched alloy as compared with solid-quenched. Liquid quenching is more efficient in suppressing quench clustering than is solid quenching. However, liquid quenching yields an extremely fine-grained material, which thereby enhances discontinuous precipitation at grain boundaries, competing with decomposition in the bulk. A Rundman–Hilliard analysis was used for the early stages of the spinodal reaction to obtain an interdiffusion coefficient of the order of 10−16 cm2 s−1 at 550°C for the solid-quenched alloy.
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    Small-angle electron scattering in the transmission electron microscope (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 564-568 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Two methods for performing small-angle electron scattering (SAES) experiments in transmission electron microscopes are described: the long-camera-length method and the selected-area-diffraction method. It is shown experimentally that angular resolutions of a few microradians and a few tenths of milliradians, respectively, are easily obtained by these two methods. A number of examples of the application of SAES to problems in materials science are presented. The use of new high-brightness electron sources is expected to produce significant increases in angular resolution, and the use of electron-energy analyzers will permit the separation of most of the inelastic contribution to the SAES intensity distribution.
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    A small-angle neutron scattering study of the temperature and stress dependence of the microstructure of nimonic alloys (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 583-588 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The creep properties in high-temperature alloys are dependent on the presence of second and higher phase components. In particular in the nimonic group of alloys the size distribution and concentration of the γ′ phase are crucial factors in the resistance to creep. A possible mechanism for degradation of creep resistance is the Ostwald ripening of the γ′ phase. A sample of Nimonic 105 (Trademark of Henry Wiggin and Co. Ltd) was subjected simultaneously to a stress of 500 MPa and a temperature of 800°C in situ in the beam using a specially developed cell on the small-angle scattering facility (D 11A) at the Institut Laue Langevin. Scattering patterns were taken continuously and spectra were recorded every ̃20 min; the macroscopic creep was also recorded. Measurements were taken up to the point of fracture. A peak in the intensity was observed at a scattering vector κ (= 4π sin θ/λ) of 0.005 Å−1 which is believed to be the lowest value at which such an effect has been observed in alloys. The observed variation in the scattering after treatment for multiple scattering and absorption corrections is discussed in terms of particle size and size distribution.
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    A modified mirror monochromator for rotation photography of large-unit-cell crystals (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 658-661 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A double-mirror monochromator in which one of the mirrors is considerably longer than conventionally employed has been used to collect diffraction data from crystalline tobacco mosaic virus (TMV) protein (unit cell: 224 × 228 × 174 Å). Considerable improvements in speed of data collection are observed over both customary focusing optics and pinhole collimation. Quantitative comparisons are made of the quality of data collected from TMV protein by this method and by the use of nickel-filtered radiation.
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    Anisotropy in the flux-line lattice symmetry of a low-κ Type II superconductor (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 654-657 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Correlation between the symmetry of the two-dimensional flux-line lattice (FLL) and the real crystal lattice (CL) has been studied in a superconducting niobium sphere by means of small-angle neutron diffraction. A double-perfect-silicon-crystal diffractometer enabled precise determination of the three interfluxoid distances corresponding to the FLL basic cell. A systematic study of the anisotropic behavior was made as a function of temperature and magnetic field amplitude for fields parallel to a few high-symmetry CL axes in the (1{\bar 1}0) plane. In addition, at T = 4.30 K progressive deformation of the FLL was studied as the sample was rotated in the (1{\bar 1}0) and (100) planes. The FLL was found to be hexagonal only for fields parallel to the threefold CL axis. Twofold symmetry prevailed for other CL directions in these planes except near the fourfold axis, where either of two distorted triangular lattices existed, preserving the reflection symmetry in composite, but not individually. When compared to current models for fluxoid-CL interactions, the present results show that no theory predicts the observed behavior quantitatively under general conditions, but some models agree well for certain high-symmetry CL axes.
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    An error in several published tables of the multiplicities of powder reflexions (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 669-669 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Some multiplicities for the Laue class \bar 31m are not correct in several standard texts.
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    Determination of low-field critical parameters of superconducting niobium by small-angle neutron diffraction (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 650-653 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The double-perfect-crystal small-angle diffraction technique enables measurement of scattering angles to within an accuracy of 0.3′′ of arc. At a wavelength of 2.55 Å, this provides a resolution of 3 × 10−6 Å−1 in the scattering vector. This technique has been used to study the anisotropic behavior of the critical parameters B0 and Hc1, characteristic of the first-order magnetic phase transition which occurs in low-κ type II superconductors. Magnetic fields were applied parallel to several crystal axes in the (1{\bar 1}0) and (100) planes of a large single-crystal sphere of pure niobium, resulting in well defined flux-line lattices (FLL). Measurement of the FLL cell area in the intermediate, mixed-state-field region gives the equilibrium flux density B0, which results from an attractive interaction between fluxoids. In addition, field variation of the scattered neutron intensity allows measurement of the transition field between the mixed state and intermediate mixed state. This transition field is related to the lower critical field Hc1 and enables its determination to a precision of 0.2%. Data at T = 4.3 K display a small anisotropic effect of about 2% in B0 and 1% in Hc1. Although orientation effects of this magnitude are difficult to resolve by bulk measurements, the neutron data are in accord with magnetization data. The temperature dependence of these parameters is found to be in qualitative but not quantitative agreement with current theoretical models.
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    A computer program for determining multiplicities of powder reflections: a correction (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 669-669 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: An amendment to a computer program for determining multiplicities of powder reflections [Rouse & Cooper (1977). J. Appl. Cryst. 10, 134–135] has been made to correct an error in the multiplicity values given for some reflections for space groups with {\bar 3}1m Laue symmetry, which exists in some of the standard texts.
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    Precision lattice parameter measurement by the X-ray divergent-beam technique (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 662-668 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A method is described for precision measurement of lattice parameters in cubic crystals, interplanar spacings and angles between crystallographic directions for single crystals of any system. The minimum measurable values of angle between crystallographic directions, Δd/d and Δa/a have been found to be ̃105 rad, ̃3 × 10−5, and ̃5 × 10−5, respectively.
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    Crystal data for diphenylsilanediol, (C6H3)2Si(OH)2 (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 670-671 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The cell constants of recrystallized diphenylsilanediol were refined from precision powder data taken with Cr Kα1 (2.28962 Å): a = 14.493 (5); b = 15.012 (6); c = 9.897 (6) Å; α = 100.84 (9); β = 100.01 (5); γ = 120.77 (5); U = 1721.6 Å3; Z = 6; Dm (25°C) = 1.255 (3); Dx = 1.252 g cm−3.
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    Lattice parameter measurements in epitaxic layers (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 671-671 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Crystal growth and materials edited by E. Kaldis and H. J. Scheel (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 673-674 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Simulation of photographs on a storage display. Application to X-ray topography and TEM (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 675-680 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The simulation of the photography remains the worst part in the calculation of transmission electron micrographs and X-ray topographs. Storage displays have been used to enhance this part of the process and the different possibilities of these screens studied. The quality of all simulations has been substantially increased by using these displays, which are now in common use.
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    High-resolution energy-dispersive diffraction using synchrotron radiation (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 684-687 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A high-resolution energy-dispersive diffractometer is described, which uses a synchrotron source and a scanning channel-cut silicon crystal. The technique is demonstrated with a powdered sample of BaTiO3 and analysis of the profiles demonstrates the anomalous particle-size effect reported by Anliker, Brugger & Känzig [Helv. Phys. Acta (1954), 27, 99–124].
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    Diffraction from materials edited by L. H. Schwartz and J. B. Cohen (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 719-720 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Crystal growth 1977 edited by R. L. Parker, A. A. Chernov, G. W. Cullen and J. B. Mullin (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 720-720 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    A method of determining cubic parameters suited to the conditions of high- and low-temperature powder diffractometry (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 5-14 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A method of measuring accurate cubic lattice parameters is developed which is suited to the type of conditions encountered in high- and low-temperature powder diffractometry. This is based on the fact that the absolute Bragg angle of each line in an indexed cubic diffraction pattern can be determined from a knowledge of the differences in angles between lines. Accurate zero-angle alignment, therefore, is unnecessary. Furthermore, it is shown that the peak or centroid shift of the line profiles arising from the instrumental and physical aberrations can be determined directly from the measured angular data without assuming a specific angular dependence. In practice the accuracy of the method is of the order of 0.0002 Å for a lattice parameter of approximately 8 Å.
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    Diffraction line profiles and Scherrer constants for materials with cylindrical crystallites (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 20-26 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Calculations of diffraction line profiles and Scherrer constants for crystallites whose external shape has cubic symmetry are extended to crystallites of cylindrical shape. The analysis includes the limiting cases of acicular crystals and disks and, to a reasonable degree of approximation in many cases, to hexagonal prisms. These shapes have applications in size determination for materials which form prismatic crystallites, particularly those which belong to the hexagonal system or have been derived from substances with this symmetry.
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    X-ray line profile analysis of deformed Al (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 35-38 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The Warren–Averbach profile analysis was modified to study the deformed state of Al. The X-ray diffraction effect of dislocations locating on cell boundaries may be treated as `size broadening', while that of dislocations inside cells is `strain broadening', which may be treated with Wilkens's theory. X-ray Debye profile measurement was performed on deformed, recovered and annealed samples of commercial pure Al. Some information concerning the dislocation glide systems and distribution as well as the differences between the deformed and recovered state were given by the Debye profile analysis. The results are in good agreement with those obtained by other authors, which prove the reliability and correctness of the method.
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    An improved EXAFS-function calculation procedure for materials with small interatomic separation (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 39-47 
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    Notes: The extended structure of the Pt L3 X-ray absorption edge for some platinum compounds was measured and Fourier inverted. It is shown that the way in which the contribution of the isolated atom is subtracted from the absorption spectrum may influence the shape of the first peak in the Fourier transform and possibly lead to erroneous structural interpretations concerning the first-neighbour shell of the absorbing atom. These errors are the more important the smaller the separation between the absorbing atom and its nearest neighbours. An improved method of subtraction of the isolated-atom absorption is proposed and checked.
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    Characterization of Brazilian high-ash coals by small-angle X-ray diffraction methods (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 251-254 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Changes in the microporosity of several types of Brazilian high-ash coals have been analyzed by small-angle X-ray scattering as a function of thermal treatment. Pore size, determined using Guinier plots, decreased following thermal treatment of the samples. The modification of porosity induced by thermal treatment was similar for high-ash and low-ash coals, from which it may be inferred that mineral content is not a determining factor in the process of pore formation. Internal surface area for the samples was calculated with SAXS data. A correlation is established between the internal surface area values obtained and the carbon content and heat-treatment temperatures of the samples.
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    Etude des composés à chaînes aliphatiques. I. Synthèse et caractérisation cristallographique des bis(n-alcanoates) de pipérazinium, 2[CxH2x−1O2−].[C4H12N22+] (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 279-281 
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    Notes: Crystal data for the series of piperazinium bis(n-alkanoates) of the type 2[CxH2x − 1O2−] [C4H12N22+] for x = 1 to 16 are presented. Most of these compounds have triclinic unit cells whose dimensions, obtained from single-crystal work, have been used to index their powder diagrams. The a ({\bar a} = 5.718 Å) and b ({\bar b} = 7.481 Å) cell dimensions remain nearly constant while the c dimension and the volume of the unit cell increase linearly with x, the number of carbon atoms in the alkanoate anion. Presumably the aliphatic sequence in the alkanoate anion adopts the fully extended conformation and lies in the bc plane and nearly along the c direction.
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    Thermal expansion of α-HgI2 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 461-462 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Lattice-constant thermal expansions, Δa/a and Δc/c, have been measured on α-HgI2 single crystals from 293 K up to the red-to-yellow transition temperature. The curves Δa/a(T) and Δc/c(T) are linear. The thermal expansion coefficients are determined: α[100] = (1.0 ± 0.1) × 10−5 K−1 and α[001] = (4.6 ± 0.1) × 10−5 K−1. No evidence of a red-to-orange phase transition could be found.
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    Structural ordering in amorphous TbFe2 and YFe2 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 452-460 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Total neutron scattering data were collected on sputtered YFe2 at 298 K and TbFe2 at 423 K with a wavelength of 0.7 Å. The TbFe2 data were collected above the magnetic ordering temperature of 383 K. In addition, the elastic neutron scattering of TbFe2 was measured with the use of a pyrolytic graphite analyzer at a wavelength of 1.5 Å, and its total X-ray scattering was measured with Mo radiation and a silicon-lithium drifted detector. Experimental radial distribution functions, with statistical error limits, were calculated. Errors due to an incorrect background, scaling of the data and termination effects were minimized. The scale and shape of the experimental background and the coordination numbers, internuclear distances and disorder parameters, for the first six coordination spheres, have been determined. The contribution of paramagnetic inelastic scattering from TbFe2 to the total neutron scattering is quite appreciable. The shape of the background scattering, which goes through a maximum, is indicative of residual coherence and suggests short-range magnetic ordering where neighboring atom spins are aligned. These effects are not observed in YFe2, nor in the elastic TbFe2 data. The metallic glasses have a structural topology which is quite different from that found in their crystalline analogues. The transition-metal substructure, consisting of corner-sharing tetrahedra, is the only aspect of the crystalline topology preserved in the amorphous phase. The structural parameters suggest a tendency of the rare-earth atoms to cluster, thereby decreasing the number of Fe nearest neighbors relative to the crystalline structure.
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    A new CeO2 form obtained as oxidation product of CeO2+SiO2-doped hot-pressed silicon nitride (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 55-59 
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    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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    A novel method for indexing multiple diffraction peaks (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 570-571 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A method is proposed for unambiguously indexing X-ray multiple diffraction patterns obtained with irregularly shaped crystals on a four-circle diffractometer. The method is derived from the orientation matrix together with the operation of crystal rotation. It is shown that this method facilitates the procedures in the experimental method for phase determination.
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    Crystal data for the fluoroalleghanyite series nMn2SiO4MnF2(1,n〈4) (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 574-576 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Unit-cell constants for synthetic fluoroalleghanyite compounds have been determined by the refinement of X-ray powder diffraction data. Manganese norbergite: Pbnm, a = 4.862(2), b = 10.797(3), c = 9.188(2) Å, U = 482.4(4) Å3, Z = 4; alleghanyite: P21/b, a = 4.871(2), b = 10.818(6), c = 8.206(5) Å, α = 108.58(5)°, U = 414.1(7) Å3, Z = 2; manganhumite: Pbnm, a = 4.888 (2), b = 10.712(2), c = 21.749(6), U = 1138.8(5) Å3, Z = 4; sonolite: P21/b, a = 4.889(1), b = 10.668(3), c = 14.239(5), α = 100.83(5)°, U = 731.9(5) Å3, Z = 2. The JCPDS Powder Diffraction File numbers are: for manganese norbergerite 33–1500; for alleghanyite 33–1499; for manganhumite 33–1498; for sonolite 33–1497.
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    A systematic method for aligning double-focusing mirrors (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 577-577 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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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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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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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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    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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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Crystal data for a new family of phases, Li3Mg2XO6:X=Nb, Ta, Sb (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 116-119 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Three members of a new family of phases, Li3Mg2XO6: X = Nb, Ta, Sb, have been prepared by solid-state reaction of MgO and Li3XO4. Unit-cell parameters of Li3Mg2TaO6 determined by electron diffraction and refined by X-ray powder diffraction are a = 8.883(2), b = 5.802(2), c = 17.437(6) Å, with space group Fddd; z = 8. Powder diffraction data of Li3Mg2NbO6 and Li3Mg2SbO6 were indexed by analogy with those of Li3Mg2TaO6 and unit-cell dimensions obtained by least-squares refinement: Li3Mg2NbO6 a = 8.552(2), b = 5.897(1), c = 17.721(5) Å; Li3Mg2SbO6 a = 8.614 (1), b = 5.908(1), c = 17.759(5) Å.
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    Etude cristallographique de la phase de transition M'' dans Al–8%Zn–1%Mg (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 590-593 
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    Notes: The structure of the transition phase M′ in AlZnMg alloys has been studied by Buerger X-ray precession photographs and transmission electron microscopy. The M′ phase, also called η′ or R, has a hexagonal or pseudo-hexagonal cell with a = 4.96, c = 14.03 Å. It is confirmed that M′ precipitates are hexagonal platelets with the following epitaxy: (00.1)M′//(111)Al and |10.0|M′//1{\bar 1}0|Al. It is shown that none of the known models of the unit cell accounts for the observed scattered intensities.
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    Accurate separation of X-ray α1–α2 doublets by the `substitution method' (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 602-604 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: An improved `substitution method' for the separation of X-ray diffraction α1−α2 doublets is based on the possibility of refining both the proportionality constant between the α1 and α2 contributions to the line intensity and the doublet separation expressed in terms of the diffraction angle or of a related variable in the reciprocal space. Optimization of these two parameters, with a proper evaluation of the error, clearly shows the statistical nature of the oscillations appearing on the high-angle side of the pure α1 component after correction; their elimination by polynomial smoothing can therefore be performed and a procedure is suggested for achieving this result. A computer program, based on these principles, has been written and tested in many practical cases.
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    Time-of-flight neutron small-angle scattering from a superconducting composite wire (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 611-614 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The precipitation behavior in the Ti–27at.%Nb–6at.%Ta–6at.%Zr alloy aged at 643 K was examined by means of time-of-flight neutron small-angle scattering. When the alloy was aged, fine-scale α precipitates appeared. During the precipitation process, each precipitate grew in size, but the total number of precipitates remained nearly constant up to 1 Ms of ageing. The increase of critical superconducting current density could be connected with increasing size of α precipitates. The specimen for the measurements consisted of a composite containing 3721 filaments in a copper matrix. The use of neutrons was shown to give great advantages for the investigation of precipitation phenomena.
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    Ultra-high-vacuum heating camera for in situ synchrotron radiation X-ray topographic studies: erratum (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 632-632 
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    Notes: The wrong original was used for Fig. 6(b) of Gastaldi, Jourdan, Marzo, Allasia & Jullien [J. Appl. Cryst. (1982), 15, 391–395]. The correct version of Fig. 6(b) is given. In Fig. 6(c) the growth time increases from right to left.
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    Crystal data for high-temperature dicalcium lead propionate, Ca2Pb(CH3CH2COO)6 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 635-636 
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    Notes: The high-temperature paraelectric phase of dicalcium lead propionate, DCLP, at 363 ± 5 K is tetragonal, with a = 12.574 (6), c = 17.403 (9) Å, V = 2751.4 Å3, Z = 4 and corresponds to the space group P41212 (or P43212). The thermal expansion curve shows the transition somewhere between 328 and 343 K.
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    Crystallographers (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 638-638 
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    Prices of Acta Crystallographica and Journal of Applied Crystallography (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 638-639 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes and News (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 639-639 
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    Current Crystallographic Books 1970 through 1981 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 640-676 
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    Examination of errors in the determination of phase boundary thickness by small-angle X-ray scattering (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 182-189 
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    Notes: The method of determining the thickness of a diffuse phase boundary with density profile governed by equilibrium conditions is proposed. It follows the well known procedure of analyzing the deviations from Porod's law. Errors in the obtained boundary thickness, owing to the statistical scatter in the intensity data and to the difficulty of separating the effect of density fluctuations within the phases, are examined. For this purpose, scattering curves are synthesized on the basis of a well defined model structure with known boundary thicknesses. These synthesized curves, when analyzed according to the proposed method, yield the correct boundary thickness under favorable conditions, but are also shown to lead to very erroneous results in some cases.
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    Experimental and computed HREM images of the structure and defects in gadolinium silicate (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 211-215 
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    Notes: Monoclinic Gd2SiO5 has been investigated by high-resolution electron microscopy (HREM) at 100 kV. Structure images are observed in the [100] and [001] projections and calculations of the image contrast using the multislice approximation are carried out to interpret the observations. For thin samples the image fit is improved by Fourier filtering of the observed images. For thicker samples the fit is found to be very sensitive to small tilt deviations of the zone axis to the electron beam. For defects observed in a fast-cooled specimen, a model in which Gd atoms replace Si atoms in segments along the (100) plane is proposed and tested by contrast calculations. These defects may be one of the reasons for deviations from stoichiometry as frequently observed in rare-earth silicates.
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    A low-temperature X-ray Weissenberg goniometer with closed-cycle cooling to about 28 K (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 241-244 
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    Notes: A low-temperature camera for single-crystal X-ray investigation between 28 and 350 K has been developed for a modified Weissenberg goniometer. Cooling is provided by a double-stage cryorefrigerator which is firmly attached to the low-temperature camera. Stranded copper cables ensure a flexible heat transfer between crystal and cold finger allowing a crystal rotation of 180°. Compared to the usual Weissenberg technique almost no further limitation is given on the accessible angular range of the scattered radiation.
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    Crystal powder data of MoGa5(CuS2)0.0556 (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 248-248 
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    Notes: The X-ray powder data have been obtained for a new phase MoGa5(CuS2)0.0556. The powder patterns were indexed on the basis of a tetragonal body-centred unit cell with the lattice constants a = 12.872, c = 5.284 Å, c/a = 0.410, dm = 6.825(8), dx = 6.869 Mg m−3, Z = 8.
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    Commission on Journals. Chemical Formulae and Nomenclature (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 249-249 
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    Molecular Structures and Dimensions (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 250-250 
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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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    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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    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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    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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    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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    Topics: Geosciences , Physics
    Notes: As a consequence of several technological developments, the speed and sensitivity of solution X-ray (and neutron) scattering studies have recently risen by factors which may be as large as 105; formal problems – like assessing the information content of the data and retrieving that information in structural terms – have thus become of immediate practical interest. The general problem of the information content of scattering experiments is discussed; its mathematical expression is derived, which depends on both the experimental data (observed values and estimated accuracy) and the a priori stochastic assumptions on the structure of the sample. The practical application of these notions to solution scattering studies involves several steps, three of which – choice of the degrees of freedom, data reduction and error analysis – are dealt with in this work. The first step is to specify the minimal number of independent parameters necessary and sufficient to describe the whole of the scattering properties of the system. Whenever the solute particles are of finite dimensions the entire scattering curve is defined by its values at a one-dimensional lattice; if, moreover, the asymptotic trend of the scattering curves is known, then the degrees of freedom are the ideal intensities at a finite number of points plus a small number of parameters describing the asymptotic trend. It is also possible to include among the degrees of freedom a few subsidiary parameters like the normalization factors. The next step is, starting from a composite set of data, to determine the most probable numerical value of each degree of freedom and to evaluate its range of uncertainty. This is discussed within the framework of variable-contrast studies, assuming that the invariant-volume hypothesis is fulfilled. An algorithm is formulated which treats all the experimental observations and determines simultaneously all the degrees of freedom and the error matrix. The algorithm also allows one to introduce additional linear constraints on the degrees of freedom. As an example, the algorithm is applied to solution X-ray scattering data recorded with a low-density serum lipoprotein. The determination of the maximal chord of the particle – an important parameter in the informational analysis – turns out to be rather tricky.
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    Macromolecular crystallography with synchrotron radiation: photographic data collection and polarization correction (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 330-337 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The design and operation of a focusing camera for high-resolution macromolecular crystallography with synchrotron radiation (SR) are described. The performance of this service-oriented instrument is evaluated on the basis of five years of use. Standard procedures for data collection, data processing and data reduction have been modified to take unusual features of the SR source into account; the effect of polarization is thoroughly discussed.
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    Oscillation camera data processing: reflecting range and prediction of partiality. I. Conventional X-ray sources (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 338-351 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Expressions are developed for reflecting range from various models, and the practical application of these in terms of reflection prediction and calculation of partiality is discussed here for conventional sources. Synchrotron sources utilizing focusing monochromator systems, where the wavelength of the radiation incident at the sample is correlated with the angular direction of that radiation, are dealt with elsewhere. Even for conventional sources spectral dispersion is shown to be an important factor, particularly in the case of high-resolution data. The various published methods are discussed and expressions are derived from first principles showing that all are inherently equivalent, differing only when approximations are used, and revealing a missing factor of two in the treatments of Rossmann [J. Appl. Cryst. (1979), 12, 225–238] and Rossmann, Leslie, Abdel-Meguid & Tsukihara [J. Appl. Cryst. (1979), 12, 570–581]. Particular emphasis is placed on the method which uses a spherical reciprocal-lattice volume element whose dimensions are designed to reproduce the expected or observed reflecting ranges, showing that for all practical purposes the effects of beam cross-fire, mosaic spread and spectral dispersion can be adequately simulated by such a volume. The equations for reflecting range are of particular interest in the electronic stationary-picture method and in the use of electronic area detectors.
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    The Rietveld method in neutron and X-ray powder diffraction (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 361-374 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In the Rietveld method of analysing powder diffraction data, the crystal structure is refined by fitting the entire profile of the diffraction pattern to a calculated profile. There is no intermediate step of extracting structure factors. The method was applied first to diffraction patterns recorded with neutrons at a fixed wavelength. It has now been used successfully for the treatment of results from the four categories of experimental technique, with neutrons or X-rays as the primary radiation and with the scattered intensity measured at a fixed wavelength or at a fixed scattering angle. In this article we discuss the application of the Rietveld method to each of these techniques.
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    Non-centrosymmetry tests for potassium feldspars: an application of the second-harmonic generator technique (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 540-541 
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    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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    Aggregation of clay particles as indicated by indirect transforms of small-angle scattering data (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 564-566 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Clays prepared by sedimentation from aqueous suspension were shown to contain aggregates much larger than individual clay particles. Small-angle X-ray scattering data were obtained with an automated Bonse–Hart instrument. The distance distribution functions for the clay aggregates were obtained using the Glatter indirect Fourier transform method. The distance distribution function extended to over 200000 Å, and the average radius of gyration was over 50000 Å in the most extreme cases.
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    Interpretation of small-angle scattering curves proportional to a negative power of the scattering vector (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 567-569 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The intensity of the small-angle X-ray and neutron scattering from a polydisperse system of randomly oriented independently scattering particles is shown to be proportional to h−α for all values of the scattering vector h when the distribution of particle dimensions is proportional to r−(2d + 1 − α), where h = 4πλ−1 sin(θ/2);θ is the scattering angle; λ is the wavelength; r is the maximum dimension of a particle; and d is the number of dimensions of the particles. The value of α lies in the interval 0 〈 α 〈 ω, where ω = 4, 2, and 1 for d = 3, 2, and 1 respectively. This relationship between the scattered intensity and the particle-dimension distribution does not depend on the shape of the particles in the polydisperse system, provided that the particle-shape distribution is independent of the distribution of particle dimensions.
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    A method to increase protein-crystal lifetime during X-ray exposure (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 571-573 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A simple method is described for increasing the lifetimes for several crystals of proteins and viruses during collection of high-resolution X-ray diffraction data on film. Crystals are mounted in a capillary filled with mother liquor, with cotton lint fibers nested against them to prevent movement. Some results and limitations of the method are discussed.
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    Diffraction for materials scientists by J. M. Schulz (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 578-578 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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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
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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
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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
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    Notes: Dislocation-free silicon crystals of ({\bar 2 \bar 1 \bar 1}) orientation with a hyperbolic notch, subjected to tensile deformation at 1073 K, were used as model material for the analysis of the induced plastic zone. The results obtained by X-ray topography and X-ray rocking-curve measurements were compared to theoretical calculations and predictions based on continuum mechanics. Good agreement between experiment and theory was obtained regarding the shape of the plastic zone, the contribution of the active slip systems to the size of the plastic zone and the direction of the maximum plastic strain trajectory in the zone. Discrepancies between experiment and theory regarding the symmetry relation of the plastic zone lobes and the dislocation density near the notch tip were attributed to the interactions and resulting work-hardening. These aspects were not taken into account in calculations of continuum mechanics.
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    An approach to the isotypical and solid solution problems in multiphase X-ray analysis (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 605-610 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: In two previous papers, algorithms designed for searching, matching and identifying phases in qualitative X-ray powder analysis were reported [Schreiner, Surdukowski & Jenkins (1982). J. Appl. Cryst. 15, 513–523, 524–530]. This paper extends the searching technique to unknowns containing isotypical phases and solid solutions. Methods are described for distinguishing among isotypical compounds in qualitative analyses, and for permitting the retrieval of phases in a data base that differ from measured patterns by a uniform Δd/d scale factor.
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    The approximation of asymmetric neutron powder diffraction peaks by sums of Gaussians (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 615-620 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Neutron powder diffractometers operating with large vertical counter acceptance angles produce diffraction patterns in which the peaks are shifted and broadened, and may become distinctly asymmetric. It is shown that a sum of Gaussians generally provides a good approximation to these peaks. The sum of Gaussians has been included as an optional description of the profile within an existing profile refinement program. In this application, the sum incorporates a single asymmetry parameter which can be estimated from the diffractometer geometry or determined in the refinement. It is recommended that, in describing asymmetric peaks, the sum of Gaussians be used in place of the simple Gaussian multiplied by Rietveld's semi-empirical asymmetry factor.
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    The sulphate ion in aqueous solution: an X-ray diffraction study of a ZnSO4 solution (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 621-625 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Two distinct X-ray diffraction studies of 2̃ mol dm−3 ZnSO4 solutions were carried out in order to assess the possibility of studying the state of the sulfate ion in water and to verify whether and how structural information depends on possible differences in experimental data. It is shown that the X-ray diffraction method is unable to provide results capable of unambiguous modelling of the SO2−4 coordination; even the complete omission of sulfate-water interactions does not lead to unsatisfactory synthetic structure functions. This conclusion does not seem to be affected by differences in the experimental data; however, some characteristics of the `best' models can be affected by differences in experimental data that are within the limits of experimental uncertainties.
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    A coordinate X-ray diffractometer based on a two-dimensional proportional chamber and a two-circle goniometer (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 626-631 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A coordinate X-ray diffractometer based on a flat two-coordinate multiwire proportional chamber 350 × 350 × 10 mm and information readout from cathode printed-circuit delay lines is described. The diffractometer is used to study macromolecular single crystals. The chamber is placed on a two-circle goniometer at distances of 300, 500 and 750 mm from the crystal. The diffractometer operates on-line with an SM-2 computer. A diffraction picture is collected in a 64 K 16-bit word computer core memory with the maximum count rate of 250000 events s−1. The detection quantum efficiency of Cu Kα radiation is about 70%. The number of spatial resolution elements of a diffraction picture is ̃50000, the resolution time ̃0.5 μs. The general case of inclined geometry is used. The diffraction picture is collected during quasi-continuous scanning. Control of the diffractometer, data collection and pre-computing X,Z are performed at the same time. The diffractometer makes it possible to study single crystals having unit cells up to 250 Å at a resolution of 3.5 Å and to 84 Å at a resolution of 1.5 Å.
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    New crystal data of some solid transition-metal complexes (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 632-635 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: X-ray powder data have been recorded for the 32 complexes: CuL2X2 [L = 2-(2-pyridyl)acetamide (aapH), N-(2-pyridyl)benzamide (bapH), N,N′-diacetyl-2,6-diaminopyridine (daapH), N,N′-dibenzoyl-2,6-diaminopyridine (dbapH); X = Cl, Br]; ML2X2(M = Ni, Co; L = aapH, bapH, daapH, dbapH; X = Cl, Br, I). These data indicate that, in all cases: (a) complexes ML2X2(M = Ni, Co; X = Cl, Br, I) are isomorphous; (b) complexes CuL2X2(X = Cl, Br) are isomorphous; (c) the Cu complexes are not isomorphous with the Ni and Co analogues (a difference ascribed to the Jahn–Teller effect); and (d) the three points (a)–(c) above are consistent with the available spectral and magnetic data.
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    Simple stereoscopic representation of protein active sites using van der Waals potential contour levels (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 636-637 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: To allow a convenient three-dimensional visualization of protein features and particularly of binding sites van der Waals contour levels are produced on large-scale stereopairs (about 0.3 to 1.0 cm Å-1). A chain of Fortran programs has been written and give screen or paper graphic outputs. The large-scale stereopairs can be easily viewed with only two ordinary mirrors.
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    Crystals: growth, properties and applications. Vol. 5. Silicon edited by J. Grabmaier (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 639-639 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    High-resolution time-of-flight powder diffractometer at the ZING-P'' pulsed neutron source (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 27-34 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A high-resolution time-of-flight powder diffractometer has been operated at Argonne's ZING-P′ pulsed neutron source for over 2½ years. The diffractometer achieves Δd/d≤ 3 × 10−3 over a broad range of plane spacings. Even though the flux at the sample position is comparatively low due to the 18.37 m incident flight path, count rates competitive with typical two-axis diffractometers are achieved because of large detector areas. A Rietveld refinement of data for a standard Al2O3 sample gives results as good as or better than those obtained with the best two-axis diffractometers.
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    Polycrystal scattering topography (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 48-54 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The concept of X-ray diffraction topography, which has been ordinarily applied to single crystals, has been extended to the observation of polycrystals and amorphous materials. This new method utilizes X-rays scattered elastically or inelastically from a specimen to observe polycrystals, and is called polycrystal scattering topography (PST). The principle and some PST techniques are described. The discussion is further extended to the potentiality of PST and an experimental method with synchrotron radiation. In order to demonstrate the capability of this method, several techniques of PST have been applied to metallurgical problems. It has been found that the PST provides a helpful tool in studying polycrystals in which neither X-ray radiography nor X-ray diffraction topography would be helpful.
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    Two-dimensional antiphase structure of Au4Mg studied by high-voltage–high-resolution electron microscopy (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 65-71 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A new structure model of Au4Mg is proposed for the long-period superstructure which exists in the Au–Mg alloys with 16–22 at.% Mg at 570–470 K and gives electron diffraction patterns of the two-dimensional antiphase structure of Cu3Pd-type (2d–Cu3Pd), with the aid of high-resolution structure images taken with the 1000 kV electron microscope. The superlattice has monoclinic symmetry with the space group P21/m (No. 11), and the lattice parameters are A = 5a, B = b, C = 4c and β = 90°, where a(= b) and c(∼a) are those of the fundamental face-centred cell. The structure can be described as the two-dimensional antiphase structure having the first- and second-kind boundaries parallel to (001) and (100), respectively, and the domain size of 2.5a × b × 2c. Nearest-neighbour Mg atom pairs are not formed across the second-kind boundaries in this structure, in contrast with the ideal 2d-Cu3Pd-type structure.
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    A multi-channel solid-state detector (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 89-93 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A five-channel solid-state detector of Si(Li) type has been made together with the necessary data-collecting system. Its characteristics and a preliminary application on the intensity measurements and on the anomalous scattering near the Ga K edge of GaP as a function of X-ray energy are described.
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    Equipping a three-circle single-crystal diffractometer with an Si(Li) solid-state detector and a low-temperature cryostat (80 K) to measure X-ray diffuse intensity (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 94-97 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A diffractometer specifically built for X-ray diffuse intensity measurements is described. The design for a low-temperature cryostat allowing measurements between 80 and 300 K with the sample under vacuum, the use of an Si(Li) solid-state detector, the design of the alignment procedure and the automation are presented.
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    Crystal data for lanthanum chromate(V) (1982)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 102-103 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Abstract LaCrO4 crystallizes in the monoclinic monazite-type structure, space group P21/n; lattice parameters and powder diffraction data are reported.
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