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  • Wiley  (20,522)
  • International Union of Crystallography (IUCr)  (3,211)
  • International Union of Crystallography  (3,142)
  • 1980-1984
  • 1975-1979  (24,095)
  • 1950-1954  (2,780)
  • 1979  (12,058)
  • 1978  (12,037)
  • 1954  (2,780)
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  • 1980-1984
  • 1975-1979  (24,095)
  • 1950-1954  (2,780)
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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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    Curve analysis of small-angle scattering by triaxial body models using a graphic display device (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 628-628 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An interactive program using a graphic display device for the analysis of small-angle scattering has been developed. It includes the curve fitting of experimental data to theoretical results calculated through a triaxial body approximation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889879013510
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  • 13
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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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  • 14
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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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  • 15
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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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  • 16
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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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  • 17
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    The measurement of the locations and radii of gyration of proteins in the 30S ribosomal subunit of E. coli by neutron scattering (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 479-482 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The theory of the technique currently in use for measuring distances between subunits in macromolecular aggregates by neutron small-angle scattering is outlined. It is shown that estimates for the radii of gyration of subunits within aggregates can be extracted from neutron distance data, in addition to the distances themselves. The current status of efforts to apply these methods to determine the structure of the E. coli ribosome is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013643
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  • 18
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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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  • 19
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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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  • 20
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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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  • 21
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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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    URL: http://dx.doi.org/10.1107/S0021889878013783
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  • 22
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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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  • 23
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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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    URL: http://dx.doi.org/10.1107/S0021889878013862
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  • 24
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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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    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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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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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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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    X-ray television area detectors for macromolecular structural studies with synchrotron radiation sources (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 1-9 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Two-dimensional X-ray diffraction patterns may be recorded quantitatively by means of X-ray-to-electron converters which are scanned in a television-type raster scan. Detectors of this type are capable of operating over the whole range of counting rates from very low to higher than those with which other types of converters can deal. The component parts of an X-ray television detector are examined and the limits to the precision of the measurements are analysed.
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    On the possibility of utilizing holographic schemes in X-ray microscopy (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 19-24 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: X-ray holography schemes are analyzed. It is shown that they have a very low aperture ratio, and this limits the size of objects from which a hologram can be recorded. It is indicated that holography schemes can be constructed on the basis of the methods of X-ray diffraction optics.
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    Small-angle X-ray data processing for planar multilayered structures. I. Theory (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 42-48 
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    Notes: The Fourier transform values are obtained by multiplying the integrated intensities by the correction factor C(h). The problem of calculating the correction factor for biological specimens which have a multilayered structure is treated. Allowance is made for the transverse size of the specimen, the disorientation in the specimen (ω), the divergence of the X-ray beam (ε), the size of the repeating unit and the curvature of the sphere of reflection. The correction factor C(h) is given by C(h) = Ω[1 + 2γh2]1/2 exp (πδ2)exp (−Ω2[1 + 2γh2]), where γ = (ω2 + ε2)/2(Ω2d2) and where Ω is the diameter of the hth order disc when ω = ε = 0. The formula for C(h) applies to specimens which remain stationary during the X-ray experiment.
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    Pyroelectric temperature analysis as a method for study of ferroelectric transitions in polycrystalline materials (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 54-56 
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    Notes: The transition temperature of ferro- and antiferroelectric crystals can be simply determined by continuous pyroelectric temperature analysis (PTA) of unsintered pressed powder. In order to avoid excessive stored charge the samples were not previously treated by a polarizing electric field. Experiments performed with (NH4)2SO4, KH2PO4 and NH4H2PO4 showed the transition points with a precision of 1°C.
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    Five new polytypes and polytypic change in PbI2 (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 57-59 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Five new PbI2 polytypes, 8H(1232), 10H(11112112), 10H(112222), 22H[11(22)5] and 30R[111313]3, were solved by the X-ray diffraction method. It was found on polytypic change that (a) the 2H polytype is changed into various polytypes on heating at 130°C and most of these further change to 12R[13]3 on heating at 260°C; (b) the polytypes 4H, faulted 4H, 14H, 22H, 26H and 30R with layer structures similar to the 12R[13]3 are fairly stable at high temperatures; (c) the 2H-30R [111313]3 transformation occurs reversibly.
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    Orientations mutuelles observées sur des cristaux d'hématite (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 66-69 
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    Notes: The reactivity of hematite depends among other factors on the morphology of the crystal. The choice of the orientation of the reference axes has been made with the help of stereographic projection combined with the morphology of the etch figures on the different faces of the crystal. That the most stable face of a crystal corresponds to the composition plane is shown for crystals of hematite from Elba.
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    Etude des défauts dans des monocristaux naturels de béryl. I. Observations des dislocations (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 70-77 
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    Notes: The lattice defects of beryl single crystals from Brazil and Madagascar have been studied by X-ray topography. Two types of linear defects are observed: channels and grown-in dislocations. Slip systems and Burgers-vector moduli are determined. Some calculations of directions of minimum dislocation energy are given and they are in quite good agreement with the observations.
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    FN: A criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 60-65 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: At present, over 30 000 powder diffraction patterns are available as references. It is proposed that the patterns on file as well as new patterns submitted for publication be assigned quantitative quality factors. A simple-to-use figure of merit, FN, covering both accuracy in the measurement of the positions of the diffraction lines and completeness of the pattern, has been derived: FN = (1/|{\bar \Delta 2 \theta}|) (N/Nposs), where Nposs is the number of independent diffraction lines possible up to the Nth observed line and |{\bar \Delta 2 \theta}| is the average absolute discrepancy between observed and calculated 2θ values. This figure of merit provides a rapid evaluation of powder patterns, in much the same way as the R factor provides a rating for single-crystal structure determinations. This figure of merit also provides a means to assess the reliability of a unit derived solely from powder data. At present FN ranking scheme is shown to be superior to de Wolff's M20 for ranking patterns. It is recommended that use of the latter be discontinued for that purpose. Guidelines are given on the use and implementation of the FN rating of powder diffraction patterns.
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    Gandolfi attachment for a Debye–Scherrer camera (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 126-126 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A standard Debye–Scherrer camera can be readily converted to operate in the Gandolfi mode by the addition of a simple attachment. The attachment replaces the usual camera cover; no changes to the original powder camera are required and its inherent accuracy is preserved.
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    New crystal data for silver sulphide sulphate, Ag8S3SO4 (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 129-130 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The title compound was recognized from the new and unexpected powder pattern of aged precipitates obtained by mixing solutions of excess silver nitrate and sodium thiosulphate under specified conditions. The possible crystalline impurities were identified and conditions were established to yield a pure product. The brown microcrystalline material is tetragonal with a = b = 7.201; c = 10.220 Å. It is a solid electrolyte, has an irreversible transition point at 246°C and melts at 405°C. Method of preparation and powder data are given.
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    Computer-generated standard stereographic projections (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 133-134 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Two Fortran programs have been written. The first determines the coordinates of points on a standard stereographic projection, and the second plots these points. The programs may also be used to draw pole figures of so-called `ideal' sheet textures.
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    Crystal data for calcium fluoride silicon oxide (CaF2.SiO2), a dehydration product of fluorapophyllite (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 131-132 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Powder data for a previously unreported dehydration product of fluorapophyllite (KCa4Si8O20F.8H2O) are presented. The reflexions are indexed on the basis of a tetragonal cell with a = 6.937 ± 0.003 and c = 8.488 ± 0.004 Å, (c/a = 1.2235 ± 0.0008). The d spacings and intensities correspond to the unindexed data for CaF2.SiO2 in the JCPDS file (Card No. 20-1050) and the refined cell dimensions are identical, to within the experimental error. Single-crystal data have not yet been obtained for this phase.
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    Profile analysis of diffractometer data (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 134-134 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program has been written for the evaluation of integrated intensities from X-ray diffractometer data. It has been compiled for IBM 360/65 and HP 2100A. The Lehmann–Larsen profile-analysis method [Lehmann & Larsen (1974). Acta Cryst. A30, 580–584] has been used. For weak reflections, profiles obtained from well defined, neighbouring reflections are employed.
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    A semiautomatic coordinate measuring device for molecular models (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 135-135 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    A status monitor for the Elliott rotating-anode X-ray source (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 136-136 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Model drawing programs: manufacture of masks to produce optical transforms (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 135-136 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    A low-cost Richards box for superimposing molecular models on three-dimensional electron density maps (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 137-137 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Synchrotron Radiation Symposium, European Physical Society Fourth General Conference, York, England, 25–29 September 1978 (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 137-138 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Union Office, Change of Address (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 138-138 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Crystallographers (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 138-138 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Teaching Crystallography for Today's Sciences, Summer School, Erice, Sicily, Italy, 6–16 September 1977 (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 138-138 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Copying Fees and Copyright Law (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 138-139 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Determination of intersubunit distances and subunit shape parameters in DNA-dependent RNA polymerase by neutron small-angle scattering (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 176-185 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: In all organisms the multi-subunit enzyme DNA-dependent RNA polymerase catalyses the first basic step in gene expression, the transcription of DNA into RNA. The neutron small-angle scattering effects were studied in the Guinier region by applying the contrast-matching technique. Isotopic labelling was realised by culturing fully deuterated E. coli cells in a heavy-water medium containing deuterated substrates. One or two completely deuterated components (subunits) of polymerase holoenzyme (composition formula α2ββ′σ, molecular weight 497000) were recombined with the remaining natural (`hydrogenated') subunits for these neutron measurements. Measurements are presented of radii of gyration R, overall shapes, and pair distances d, of three components (subunits α2β,β′) in RNA polymerase of E. coli. The subunits β′, β and α2 are obviously rather elongated in situ and exhibit (as scattering-equivalent prolate ellipsoids) axial ratios of about 7:1 up to 9:1. The intersubunit centre of gravity distances were analysed to be 7.3 ± 0.8 nm for β−β′, 8.2 ± 1.2 nm for α2−β′ and 7.0 ± 1.7 nm for α2−β.
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    A perfect-crystal neutron polarizer as an application of magnetic prism refraction (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 186-191 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: It is demonstrated experimentally that the well known spin-selective deflection of neutrons transmitted through a static magnetic field region with triangular geometric boundaries combined with the high angular resolution of a non-dispersive double-crystal arrangement can be used to polarize a thermal neutron beam to a degree close to unity at reasonably low laboratory fields of 1.0 to 1.5 T.
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    The small-angle neutron scattering facility at the SAFARI-1 reactor (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 192-200 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A long-wavelength neutron scattering facility at the SAFARI-1 reactor is described. Neutrons of wavelength between 5 and 15 Å can be selected. Features of the facility are the use of microwave guides as neutron conductors, flexible guide-pipe configuration and automatic sequential sample changing. Examples are given of measurements on radiation-induced voids in copper, aluminium, Al-0.4%Si and Al-0.1%In after neutron irradiation and magnetic scattering in US and in 80US-10UC-10UC2.
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    The use of nuclear emulsions in X-ray topography: improvement of the development methods (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 201-204 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The development is critical in recording X-ray topographs since it takes a long time and determines the final quality of the pictures. It is shown that, in most cases, it is possible to decrease both exposure time and development time and still obtain pictures of good quality. Standard conditions of development should be used to achieve higher resolution only. This new standard may be of great use with the modern high-power sources.
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    The doping method in quantitative X-ray diffraction phase analysis (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 205-208 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The doping method in quantitative X-ray diffraction phase analysis is described. The method involves the addition to the investigated system of known amounts of the components, the weight fractions of which are to be simultaneously determined. The weight fraction of a component is related to the intensities diffracted by that component and by any non-added component, before and after doping. The method can also be applied to systems containing unidentified components by analysing for only those components of interest, as well as for amorphous-content determination.
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    Determination of strain distribution in elastically bent materials by X-ray intensity measurement (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 209-220 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A method for quantitative determination of local curvature in elastically bent perfect crystals is described. The method is based on X-ray intensity measurements, and a comparison of experimentally determined values with those derived from diffraction theory gives satisfactory agreement. The method was applied to determine the strain gradient and strain concentration in the vicinity of the notch of an elastically bent crystal. The experimental results were compared with those derived from a similar model based on continuum mechanics. Possible applications of the X-ray method are discussed to obtain experimental solutions to strain analyses which, when approached by continuum mechanics, pose formidable mathematical obstacles.
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    A solid-state transformation in 1,5-dichloroanthraquinone (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 239-239 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: 1,5-Dichloroanthraquinone undergoes a solid-state transformation at 470 K. The two modifications are very similar, except that a is greater than b above the transition temperature and the inverse is true at room temperature.
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    A high-temperature focusing X-ray powder camera with new features (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 221-224 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A film-type X-ray high-temperature (up to about 2250 K) powder camera using the Guinier focusing principle in transmission is described. Use is made of a germanium monochromator. The powder specimen is spread without adhesive on a horizontal supporting film of refractory material, and rotates about a vertical axis. The support is surrounded by a cylindrical furnace of thin tantalum sheet enclosed in a chamber which can be evacuated or filled with an inert gas. The X-radiation enters and leaves the chamber through beryllium windows. The film holder is situated outside the chamber. The sample temperature is measured by thermocouples and optical pyrometry. Problems due to the coating by evaporated material of the silica glass window used to observe the specimen are obviated by the use of a transparent shield which can be rotated to give fresh surfaces when needed.
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    Crystal data for isotypic Cs2[M(CN)4].H2O compounds, M=Pt, Pd and Ni (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 241-242 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Cs2[Pd(CN)4].H2O and Cs2[Ni(CN)4].H2O were found to be isotypic with the known hexagonal Pt compound which shows an unusual helical chain of six [Pt(CN)4]2− groups in the unit cell, space group P61 or P65. The crystal data are a = 9.559 (2) and c = 19.308 (4) Å, Dm = 2.87 (4), Dx = 2.912 Mg m−3 for the Ni compound, and a = 9.704 (2), c = 19.388 (4) Å, Dm = 3.12 (4), Dx = 3.115 Mg m−3 for the Pd compound. X-ray powder data are given.
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    Crystal data for Na3Mg2P5O16 (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 244-244 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Na3Mg2P5O16 is monoclinic, P21/c, Z = 2, with unit-cell parameters a = 5.177 (1), b = 6.853 (1), c = 18.628 (5) Å, β = 90.00 (4)°.
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    Semi-metals & narrow-bandgap semiconductors by D. R. Lovett (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 262-262 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Comparison and optimization of smoothing procedures for small-angle X-ray scattering curves. Polynomial fitting and modified frequency filtering (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 267-274 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The filter theory allows one to compare the efficiencies of smoothing procedures widely used in the field of small-angle X-ray scattering. This method is demonstrated for polynomial fitting and modified frequency filtering. Optimized and objective smoothing parameters are determined for both procedures through the knowledge of variance reduction factors, transfer functions of the filters, the largest value of the spatial frequencies of the scattering curve and the distortions caused by the smoothing procedures. The comparison of the efficiency of polynomial fitting and frequency filtering clearly shows the superiority of the latter; therefore, this method has to be preferred.
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    Détermination expérimentale de la fonction d'orientation – son application dans le calcul des bandes de diffraction (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 332-338 
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    Notes: The influence of orientation on the powder diagrams produced by lamellar structure systems is studied in the case where the bidimensional lattice is very limited and where the layer structure is complex. The orientation distribution must be included in the numerical integration which leads to the line diffraction profile. The technical measurement of the real experimental orientation is discussed. An example is given showing the influence of the orientation on the interference function in the absolute scale.
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    Geometrical problems with a position-sensitive detector employed on a diffractometer, including its use in the measurement of stress (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 339-345 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Defocusing errors associated with the use of a one-dimensional position-sensitive proportional counter on a powder diffractometer are considered. These errors are small in the measurement of residual stress and it is not necessary to apply mathematical corrections, especially if the X-ray tube is aligned properly. Correspondingly, these errors are small for high-angle peaks in any reflection experiment compared with the present detector resolution. The equations presented allow for an evaluation of this error in most equipment configurations.
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    Determination of local atomic configurations for binary substitutional alloys (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 351-356 
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    Notes: A method is described whereby the complete distribution of first-nearest-neighbor atomic configurations can be determined from experimental short-range order coefficients for binary substitutional f.c.c. alloys. The process involves the computer simulation of the structure represented by the experimental αi by a Gehlen–Cohen-type procedure, followed by the classification of each atom of a given species in the model as one of the 144 crystallographically distinct nearest-neighbor types. These simulation and searching procedures are then used to demonstrate the consistency of the information one can expect to obtain from a given set of αi by `close fitting' to different numbers of coordination shells. It is shown, for example, that a six-shell close fit to a selected set of αi can yield a solution with a mean relative deviation of about five per cent for the nearest-neighbor configuration concentrations.
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    Simple methods of aligning four-circle diffractometers with crystal reflections (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 357-359 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Simple methods of aligning four-circle diffractometers with crystal reflections are devised. They provide the methods to check (1) perpendicularity of χ plane to the incident beam, (2) zero point of 2θ and linearity of focus-χ center-receiving aperture and (3) zero point of χ.
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    Total thermal neutron cross sections of Al, Si, Cu, Zn, Ge, Pb and Bi single crystals (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 399-400 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Experimental values of the cross sections of Al, Si, Cu, Zn, Ge, Pb and Bi at room temperature for several neutron energies between 2 × 10−3 and 10−1 eV, are reported. The measurements were repeated for a Bi single crystal at T = 80 K.
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    Absorption correction and normalization of X-ray small-angle scattering data for materials producing intense scattering at extremely low angles (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 401-402 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Some materials of low absorption that contain particles in the several thousand Å range can produce an intensity of small-angle scattering that is a significant fraction of that of the transmitted beam. This is quite apparent in the range of a few s scattering angle when a Bonse–Hart small-angle scattering diffractometer is used. A method was developed that allows an accurate absorption correction to be calculated when the scattering by the sample can be approximated by an exponential function in the range of 0 to 5 s double Bragg angle 2θ. Variation of sample thickness allows the correction method to be checked.
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    Crystal data for Na4Mg2Si3O10 (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 405-406 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An indexed powder pattern is reported for Mg2Na4O10Si3. The unit cell is orthorhombic, a = 10.584 (7), b = 14.328 (7), c = 10.457 (7) Å. Transition to a cubic phase, a = 7.440 Å, occurs at 918 K. A Na-deficient tetragonal phase was also observed.
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    A simple furnace for neutron diffraction studies (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 403-404 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A simple yet effective high temperature furnace for heating crystals or powder specimens for neutron diffraction studies on a θ/2θ diffractometer is described. The furnace can maintain samples at temperatures up to 1573 K, in air, with a stability of ± 4 K for periods of many hours. Specimen temperature is uniform within 12 K, or much less with the use of a silica sleeve.
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    Powder diffraction data for compounds in the series Nax(Ca3±xNax)Al2O6 (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 407-410 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Indexed powder diffraction data are presented for Ca3Al2O6 and its sodium-containing solid solutions. Powder patterns of the cubic and orthorhombic phases calculated from the crystal structure data are compared with the observed patterns. Indexed data are presented for the monoclinic phase, which is stabilized by sodium and silicon. The so-called tetragonal phase is shown by electron diffraction to be orthorhombic, pseudo-tetragonal. It probably has the symmetry Pcaa with a = b = 10.8599 (9), c = 15.1234 (20) Å.
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    Crystal data and molecular packing of drug charge-transfer complexes. I. Promethazine picrate (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 413-413 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystal data for promethazine picrate (C23H23N5O7S) complex are: triclinic P1 or P{\bar 1}, Z = 2, a = 18.49 (1), b = 7.77 (1), c = 7.79 (1) Å, α = 70.9 (2), β = 90.0 (2), γ=83.0 (2)°.
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    Crystal data of tris(2-cyanoethyl)phosphine oxide, tris(2-cyanoethyl)phosphine sulphide and tris(2-cyanoethyl)phosphine selenide (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 414-415 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Tris(2-cyanoethyl)phosphine oxide, OP(C2H4CN)3, C9H12N3OP, is hexagonal (rhombohedral), space group R3c, with a = 13.484 (1) and c = 10.162 (1) Å. The sulphide and selenide are triclinic, space group P{\bar 1}. Cell dimensions for SP(C2H4CN)3, C9H12N3PS, are a = 8.363 (8), b = 9.026 (4), c = 9.777 (6) Å; α = 98.75 (4), β = 107.31 (5), γ = 115.85 (5), and for SeP(C2H4CN)3, C9H12N3PSe, a = 8.497 (5), b = 9.148 (2), c = 9.972 (8) Å; α = 98.85 (2), β = 107.20 (6), γ = 116.96 (3)°. X-ray powder diffraction data are quoted.
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    Radiation Leakage around X-ray Tube Shields (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 488-488 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    Advances in X-ray analysis. Vol. 21. Proceedings of 26th Annual Conference on Application of X-ray Analysis, Aug. 3-5, 1977 edited by C. S. Barrett, D. E. Leyden, J. B. Newkirk and C. O. Ruud (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 488-488 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 88
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    Etude d'un systeme micellaire de type inverse par diffusion centrale des neutrons (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 502-510 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The study by neutron small-angle scattering of reverse-type micellar solutions of the ternary system water–OT aerosol–n-heptane is reported. The contrast variation method used both on the water inside the micelle and on the solvent makes it possible to determine some structural parameters of the micelle and to propose two micellar models.
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    The influence of multiaxial stress states, stress gradients and elastic anisotropy on the evaluation of (Residual) stresses by X-rays (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 489-501 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In recent years, nonlinear d versus sin2 ψ distributions have been observed in stressed materials which cannot be explained by the classical fundamentals of X-ray stress measurement, d is the interplanar spacing measured and ψ is the angle between the surface normal of the sample and the measuring direction. This paper reviews treatments for these nonlinear distributions, including stress gradients, shear stresses and anisotropic X-ray elastic constants. Methods for the evaluation of stresses are reported, and recommendations are given for the practical application of X-ray stress measurement.
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  • 90
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    Pressure-induced tetrahedral tilting and deformation in Ge2N2O (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 511-516 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: High-pressure time-of-flight neutron diffraction studies have been carried out on orthorhombic Ge2N2O to 25.4 × 108 Pa and by X-ray diffraction to 49 × 108 Pa. The zero-pressure axial compressibility coefficients are Ka = 33 (2), Kb = 41 (2), Kc = 28 (2), and volume Kv = 99 (5) × 10 −13 Pa−1. The changes in bond angles and bond lengths at pressures from 105 to 25.4 × 108 Pa have been measured. The structure of Ge2N2O consists of GeN3O tetrahedra linked along the a direction by Ge–O–Ge bonds and along the b and c directions by three coordinated Ge–N bonds. This structural framework adjusts to applied pressure by tetrahedra tilting in a cooperative fashion, the biggest change being observed in the Ge–O–Ge angle which decreases by 12.4°. The behavior of Ge2N2O is very similar to its isomorph Si2N2O, though the tetrahedra deform somewhat more for Ge2N2O. The pressure changes in the lattice parameters of Ge2N2O up to 8̃ × 108 Pa are very similar to those of Si2N2O up to 2̃4 × 108 Pa, supporting the contention that germanates behave as high-pressure models for silicates.
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    Determination of inter-element effects through Monte Carlo simulation of X-ray fluorescence (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 517-524 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A Monte Carlo model is developed to simulate the X-ray fluorescence process within a homogeneous multi-element mixture. Validation of the model is obtained through comparison of the model's predictions with experimental data for the iron–nickel–chromium system, for which the inter-element effects are severe. The results indicate that the Monte Carlo model is an excellent simulator and may be used in place of a set of standards to determine the influence coefficients for analysis of fluorescence data.
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  • 92
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    Quantitative structural studies by means of the energy-dispersive method with X-rays from a storage ring (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 531-536 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Test experiments were made using the X-ray energy-dispersive method at the storage ring DORIS (Hamburg) working in the single-bunch mode. It is shown that the spectral distribution of the incident beam calculated from the storage-ring parameters is in very good agreement with that derived from measured diffraction patterns of known substances, and thus it can be used for structural studies. This is illustrated with results of profile-fitting refinement applied to urea (CH4N2O) and naphthalene (C10H8). It is also shown that because of an improved detector system and the time structure of the radiation emitted from the storage ring one is able to record 7 × 104 photons per second and obtain reliable patterns in times of the order of 1 s.
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    The determination of crystallite dimensions using synchrotron-radiation X-ray diffraction photographs (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 525-530 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Synchrotron-radiation Laue patterns give valuable information on the sizes and shapes of grains in a polycrystalline material even if these are too small for synchrotron topography. A calculation, based on kinematic theory, is presented for the radial and lateral broadening of the diffraction spots obtained with white radiation. The most conspicuous broadening is to be expected when the dimensions of the reflecting planes are small and not their number; this is at variance with the conditions leading to broadening with conventional monochromatic methods. Quantitative assessment of the crystal dimensions is possible if auxiliary spectral information is obtained by using selectively absorbing filters. The theory was applied to the analysis of Laue photographs of xenon and krypton crystallites condensed on a cooled beryllium substrate. Crystal dimension down to a few nanometers could be determined. The method is, in principle, applicable to the determination of the grain size and shape distribution of fine-grained polycrystalline samples of any material. Changes during crystallization and recrystallization can be easily followed by virtue of the simple experimental set-up and short exposure times involved.
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    A liquid-helium cryostat for collection of three-dimensional X-ray intensity data down to 20 K. The crystal structure of D(+)-tartaric acid at 35, 105, 160 and 295 K (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 537-544 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A Be-walled conduction cooling He(l) cryostat intended for the interval 20–80 K and the κ geometry of the CAD4 X-ray diffractometer is described. Three-dimensional X-ray intensity data can be collected in the interval − 45 〈 χ 〈 45° with the temperature stability maintained within ± 1 K. The experimental problems caused by centering an unseen crystal and by the absorption and scattering in the Be walls are discussed. D(+)-tartaric acid, C4H6O6, was chosen as a test compound. Only minor differences occur in its crystal and molecular geometry between 295 and 35 K.
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    X-ray diffraction profiles from single crystals of Cu–Ge alloy containing heavily faulted regions (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 545-550 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Intensity profiles of diffuse streaks along [111] were accurately measured for heavily faulted regions in deformed specimens. They often showed two or three broad peaks and differ remarkably from Paterson's [J. Appl. Phys. (1952). 23, 805–811] profiles (Reichweite s = 1), but are in fairly good agreement with Kakinoki's [Acta Cryst. (1967). 23, 875–885] profile of s = 2 with the sequence probabilities α1 = 0.45–0.85 and α2 = 0–0.1. This means that the deformation (intrinsic) faults are produced more easily on every other (111) plane than on successive planes. A model which shows the distribution of the deformation faults is constructed by a computer simulation. A detailed study using Kakinoki's theory with s = 3 shows a better fit with the experimental profile.
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    Analysis of two-dimensional reflections from a fine-particle carbon (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 551-553 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The intensities of two-dimensional reflections from a non-graphitic carbon were correctly calculated by using the general Debye scattering equation and the hypothesis of small (about 12 Å in diameter) domains diffracting incoherently with respect to one another.
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    A texture goniometer with variable radius and collimation for analysis of textures in rocks (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 564-569 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A texture goniometer has been built specifically for geologic applications. Features include (1) a large and variable radius, (2) a variable collimation system that is simple to use and which permits excellent resolution, (3) a wide main circle that allows large specimens to be analysed, (4) partial vacuum paths for the incident and diffracted beams, (5) a θ:2θ drive that allows 2θ scans. The performance of the goniometer is assessed by determining resolution and count rate for various collimations and radii.
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    An analysis of the Rietveld refinement method (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 554-563 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An analysis of the Rietveld profile refinement method used in the interpretation of neutron or X-ray powder diffraction patterns has been carried out. It is shown that the values obtained for the structural parameters are not exactly the same as those obtained from an integrated intensity refinement of the same data and that the standard deviations of the parameters are determined incorrectly. Whilst the differences in the values of the parameters may not be statistically significant, the fact that their standard deviations are estimated incorrectly severely limits their usefulness. These conclusions are confirmed by refinement of a number of data sets using both methods and in most of these cases the standard deviations are found to be underestimated by the profile refinement method by a factor of at least two. Discussions based on the results of profile refinement must therefore be reconsidered and the relative value of powder diffraction techniques must be reviewed.
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    Etude cristallographique des monophosphates acides du type MII(H2PO4)2.2H2O pour MII=MnII, FeII, CoII (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 609-610 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Acid monophosphates MII(H2PO4).2H2O with MII = Mn, Fe and Co are isotypic with the corresponding Cd and Zn salts. Crystal data and powder diffraction data for these three salts are given.
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  • 100
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    Crystal data for ammonium magnesium carbonate tetrahydrate [(NH4)2Mg(CO3)2.4H2O] (1979)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 12 (1979), S. 611-611 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Ammonium magnesium carbonate tetrahydrate crystallizes with an orthorhombic unit cell, a = 7.697, b = 10.287, c = 6.639 Å, Z = 2; Dx = 1.595, DM = 1.61 ± 0.01 Mg m−3. An indexed powder pattern is given.
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