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  • National Academy of Sciences  (15,462)
  • American Physical Society (APS)
  • International Union of Crystallography (IUCr)
  • 1990-1994  (19,581)
  • 1965-1969  (5,780)
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  • 1
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 1-19 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The desirability and requirements for a specimen capable of testing the resolving power and other image characteristics of an electron microscope are discussed in detail. In this discussion, the underlying diffraction phenomena are particularly utilized. A partially graphitized carbon black is shown to satisfy the requirements extremely well and constitutes an easily prepared specimen for conducting tests of image quality in the molecular size range. The structure of the test object is known in detail with the result that readily interpretable phase contrast images are obtained. Micrographs illustrating the use of the 3.4 Å (002) spacing for magnification calibration, astigmatism and asymmetry check as well as resolving power are exhibited. The second order c-spacing of 1.7 Å is occasionally found in an image. The micrographs shown herein were taken with two different electron microscopes by different operators obtaining the same structural detail in the images. It is concluded that the carbon black test object offers the best possibilities for evaluating image performance of any specimen yet suggested.
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  • 2
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 84-90 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Bent-glass mirrors can be used to produce a narrow, highly collimated X-ray beam, particularly suitable for photographing diffraction patterns from crystals with very large unit cells (i.e., several hundred Å to a side). A camera is described that employs double-mirror focusing optics with a precession apparatus. A comparison of optical reflection and simple collimation shows that for high resolving power, focusing devices are very much superior to pinhole collimators. The reduction of background is especially noteworthy. Use of this camera has permitted the collection of accurate three-dimensional data from crystals of tomato bushy stunt virus.
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  • 3
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 121-122 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A new method for determination of the polarization factor of a crystal monochromator is presented. This method is based on the use of polarized X-rays produced by anomalous transmission or the Borrmann effect. The polarization factors of two quartz (10\overline 11) monochromators of Johansson type have been measured with Cu Kα radiation, and the resulting values are in close agreement with the expression derived from the kinematic diffraction theory.
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  • 4
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 126-128 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An adapter which supports a Polaroid flat-plate film holder has been designed for a standard Weissenberg goniometer. A number of applications, including a method for rapidly aligning single crystals, are described.
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  • 5
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 145-153 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The use of X-ray diffraction topography to identify domains of different polytype in crystals of silicon carbide has been described in a previous paper. Further methods have been developed and applied to the analysis of thin films deposited epitaxically from the vapour phase onto basal surfaces of crystals of hexagonal α-SiC. The epitaxic films consist either of α-SiC, or of the cubic form β-SiC, with multiple twinning about the axis normal to the surface. The fine scale texture of interlocking twin domains is readily demonstrated in X-ray diffraction topographs.
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  • 6
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 165-171 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Inversion twin boundaries in BeO crystals (wurtzite structure) can be studied by X-ray topography. They can be regarded as a special kind of stacking fault. The section topograph images of a twin boundary, lying parallel to the c axis, agree well with the theory for a single stacking fault. From the contrast variation of the images for various reflections, it is concluded that the oxygen sublattice on one side of the twin boundary is displaced from that on the other side by \mid(1/16)[001]\mid so that the oxygen layer parallel to the basal plane on one side is located at the center of the oxygen and beryllium layers on the other side. The image contrast in section topographs is very sensitive to the phase shift due to a fault. The phase shift of a few degrees can be detected easily. This sensitivity leads to an accurate structure determination of the inversion twin boundary.
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  • 7
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 181-184 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The refractive index, n, for X-rays is measured by interposing a prism in the path of X-rays falling on a perfect silicon crystal at the Bragg incidence angle. Owing to the deviation angle of the prism, the separation of the two wave fields excited in the silicon crystal is modified, from which the value of n − 1 can be deduced with a 1% accuracy. The method has been applied to the measurement of the anomalous dispersion correction for the refractive index of zirconium for Mo Kα.
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  • 8
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 187-189 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method based on the variation of the lattice parameter with Li content, for the quantitative determination of lithium in the system Lix+Ni1−2x2+Nix3+O2−, is proposed. A precision between 1 and 5% relative, depending upon the concentration range, has been obtained. The results are compared with those obtained by flame emission spectroscopy. For values of x 〉 0.12 the original rhombohedral lattice transforms into a face centred cubic lattice.
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  • 9
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 198-198 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 10
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 139-145 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A study of strain inhomogeneities in a zone-refined tungsten crystal oriented for (123) slip was carried out before and after a slight compression. The study was based on changes of interplanar spacings measured along different crystallographic directions and samples from different areas of the crystal by means of the X-ray back-reflection divergent beam method. Upon compression a redistribution of the locked-in elastic strains took place and the induced strains assumed a more homogeneous distribution for one of the sets of (123) planes considered. This homogeneity in the strain distribution along definite crystallographic directions is believed to result from the interaction of the primary slip dislocations with the pre-existing dislocation configuration and appears to be characteristic of the initial stage of work-hardening. The dislocation interaction induced by a small strain found practical application in the elimination of a troublesome substructure in highly zone-refined tungsten crystals and appears to form the scientific basis of certain stress-relief treatments long practised in metallurgical technology.
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  • 11
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 218-226 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: All the hard carbons are composed of three phases when they are heated above 2000°C: non-graphitizable carbon, graphitizable carbon, and graphite (the latter two appearing only in very small amounts). When the heat treatment temperature is increased to 3000°C, these phases change in various ways. At low temperatures, the non-graphitizable phase is formed by small turbostratic stacks of carbon layers which are oriented completely at random inside the carbon grains. Above 2000°, these stacks begin to undergo mutual rearrangement to produce small fibers by ordering roughly parallel to each other. The graphitizable phase is formed of spheres made up of conical rolled spirals, which are themselves made up by turbostratic stacking of the carbon layers. When heat treated, each sphere transforms to graphite very suddenly. The third phase is well crystallized graphite with stacking faults and twist defects.
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  • 12
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 241-246 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Samples in the Bi–Te system containing 59.0, 58.0, 57.0, 55.0, 51.0, and 50.0 at.% Te, in addition to 5 samples within the Bi2Te3 homogeneity range, have been equilibrated near 525 or 450°C and room temperature powder diffraction patterns taken. There are now 4 known phases in the 50–60 at.% Te region. The 59.0 and 58.0 at.% samples are two phase at 525°C. The 57.0 and 55.0 at.% samples are new phases with hexagonal parameters, a = 4.4106±0.0002 Å, c = 54.330±0.003 Å and a = 4.4214±0.0004 Å, c = 78.195±0.012 Å, respectively. The 51.0 and 50.0 at.% samples are two-phase at 525 C. At 450°C the 51.0 at.% sample is single phase while the 50.0 at.% sample probably is not. The common indexing scheme for the 50.0 and 51.0 at.% samples is different from those for the 55–0 and 57.0 at.% samples. For the 51.0 at.% sample a = 4.4296±0.0002 Å and c = 24.017±0.001 Å. The 00l lines for all these phases vary strongly with composition and those near d = 9 and 5 Å are isolated enough to provide a convenient way of distinguishing among the various phases. The results are discussed in terms of other phase-diagram information. They are inconsistent with Stasova's correlation between composition and powder-pattern indices for the Bi–Te, Bi–Se, and Sb–Te systems.
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  • 13
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 262-262 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 14
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 263-271 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The study of the scattering outside the Bragg reflexions shows no local order in the ordered phase I of alloys such as Au (50 at. %) Cu (46 at. %) Ni (4 at. %) even for the smallest degree of long range order. The modulation of the scattering appears only with the presence of short range order in the disordered α phase. There is evidence of a two-phase region on the equilibrium diagram at the AuCu3 stoichiometric composition.
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  • 15
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 290-292 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Accurate lattice parameters (at 25 and 48°C), density, thermal expansion coefficients, the indexed powder pattern, and optical data are given for Ba(4+x)Na(2−2x)Nb10O30, where x = 0.13±0.013, grown by pulling from a nominally stoichiometric melt.
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  • 16
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 313-317 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In an earlier communication by the authors it was shown that the stack height distribution in a raw carbon black followed an exponential law. Extension of these studies to a heat-treated (2000°C) black showed that the exponential law is still valid when stacking is extensive. The exponential law and the effect of heat-treatment are explained by the existence in blacks of extensive stratification rather than the presence of short stacks of small layers. Evidently heat-treatment results in annealing of the strata to yield uniform layer domains and more ordered stacking. Simple expressions are derived for calculating the profiles of the 00l reflections and the coefficient of the exponent.
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  • 17
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 324-325 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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  • 18
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 1 (1968), S. 323-323 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Long chain secondary ammonium chlorides, bromides and iodides crystallize in a preferred orientation. Values of the basal spacings of the salts indicate hydrocarbon chains oriented towards each other between planes of the ionic heads. The inclination angle of the chains was found to be 40°.
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  • 19
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 72-76 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The paper describes a method for obtaining consistent estimates of domain size from an evaluation of coefficients derived from curves fitted to the tails of diffraction profiles. An estimate of the mean domain size is computed directly from the intensity data and this is equivalent to the value derived from the slope of the variance-range function. For many applications this provides a convenient alternative to the method described by Langford & Wilson (Crystallography and Crystal Perfection. London: Academic Press, 1963) but does not replace it. An advantage of the present method is its simplicity and consequent reduction in computing time. It is easier to apply if a computer is not available and is applicable in cases where one or other of the profile tails overlaps that of a neighbouring line. The results obtained by this method are comparable in accuracy to those given by existing techniques.
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  • 20
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 18-24 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The usual method of specimen preparation for electron-probe microanalysis can introduce errors of up to about ±3% in the estimates of the amount of an element present. It is believed that these errors are caused by the formation of `flowed' layers on the surfaces of polished samples. Two methods of reducing the errors are described.
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  • 21
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 30-36 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The lattice constants and the atomic position parameter, z, of a high purity, low strain, single-crystal of arsenic have been determined. Low extinction reflections of filtered Mo Kα and Ag Kα radiation were used for the determination of z. The Bond precision technique with Mo Kα radiation was used for the determination of the unit-cell dimensions a and c. Average values for a and c in Å, and for z are: 4.2°K z = 0.22764 a = 3.7597 c = 10.4412; 78°K z = 0.22754 a = 3.7595 c = 10.4573; 299±3°K z = 0.22707 a = 3.7598 c = 10.5475. The estimated standard deviation of z is ±0.00004 at 4.2°K, ±0.00002 at 78°K and ±0.00005 at 299°K. The precision of a is estimated to be ±0–0001 Å and that for c to be ±0.0002 Å. The results for As are compared with those reported earlier for Sb and Bi.
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  • 22
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 146-147 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 23
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 156-164 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The strain induced phase transformations produced in lead monoxide powders by ball milling at temperatures ranging from −196 to 200°C have been studied by X-ray diffraction methods. It has been found that either of the two polymorphs, litharge and massicot, was partially converted to the other at all the temperatures investigated, and that, whichever polymorph was the starting material, the end product, after a sufficiently long time, was a mixture of the two polymorphs, both highly strained. The percentage of each phase present was found to be dependent on the temperature of deformation. The results have been interpreted by consideration of the production of the microstrain energy required to overcome the energy barrier to the transformation, and of the shear generated in the mill on the pressure-temperature phase diagram. It is considered that shear stresses can affect the nature of the pressure-temperature phase diagram, in a manner theoretically postulated by Kumazawa. The commercial importance of the results has been briefly outlined.
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  • 24
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 176-180 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The theory of the direct comparison X-ray method of phase analysis is extended to correct for preferred orientation effects. Texture parameters are defined to assess the type and intensity of preferred orientation using data from diffractometer patterns. The analysis is illustrated with results obtained on three austenitic stainless steels.
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  • 25
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 192-192 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 26
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 200-209 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is presented which combines the analysis of X-ray absorption profiles and selected area X-ray topographs. The method is based on X-ray divergent beam patterns obtained in transmission. The absorption profiles are obtained by unfolding the spectral distribution from the profiles of the deficiency conics, whereas the selected area topographs derive from the corresponding diffraction conics. The synergy of the two techniques makes the method particularly useful for the elucidation of anisotropic effects and inhomogeneities of defect structures. An example is given for the room temperature deformation of beryllium.
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  • 27
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 223-230 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An X-ray reflexion topography camera has been designed to study structural defects near the surface of monocrystalline semiconductors. Large surfaces can be covered by means of successive fixed exposures. A surface of 30 mm x 10 mm for example can be studied in less than ten minutes on nuclear emulsions. The conditions for the observations of dislocations in gallium arsenide have been examined: the choice of reflecting planes is limited by the depth of penetration of X-rays, so that the effective crystal thickness must be of the order of the width of a dislocation image (2-5 microns). Studies to which these observations can be applied are numerous: structural defects induced by diffusion, lattice strains, orientation of dislocations near the surface, structural evolution of silicon during integrated circuits elaboration, structure of cleavage surfaces, lapping and polishing defects, structural defects of epitaxic layers.
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  • 28
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 234-234 
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  • 29
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    Applied crystallography online 2 (1969), S. 236-236 
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  • 30
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    Applied crystallography online 2 (1969), S. 249-252 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The practical importance of tungsten monocarbide prompted an investigation into its wear mechanism. Initial studies on ball-milled tungsten carbide powders revealed considerable plastic deformation, coupled with a reduction in crystallite size. Deformation stacking faults, involving slip on the basal plane, were observed. The work was extended to sintered blocks, tool tips and single crystals. Studies on the worn surfaces of these revealed plastic deformation that extended to a depth of a few microns below the surface. The plastic deformation is an important factor in the wear of tungsten carbide.
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  • 31
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    Applied crystallography online 2 (1969), S. 295-297 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is suggested which allows several independent determinations of the rhombohedral angle using data from a single diffraction pattern. This is applied to the intermetallic compound SbSn.
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  • 32
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    Applied crystallography online 2 (1969), S. 297-300 
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    Topics: Geosciences , Physics
    Notes: The Hankel transform method proposed by Fedorov & Aleshin (1966; Vysokomol. Soed. 8, 1506; English translation, 1967: Polymer Science USSR 8, 1657) for calculating the electron density of long cylindrical particles with circular cross section is tested with theoretical intensity functions for which the density can be found both by an exact calculation and by numerical integration. (In this method, the density is assumed to depend only on the distance from the cylinder axis.) The tests show how the degree of resolution obtained in the density curve is related to the largest scattering angle at which data are available. For the step function density corresponding to a cylinder with uniform electron density, the requirements are more severe than for continuously decreasing density functions. The possibility of obtaining useful results with the available scattering data from two biological macromolecules is discussed.
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  • 33
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 247-248 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A previously given analysis of the beam and specimen tilt errors in the Bond single-crystal method of lattice parameter determinations is extended to give a simple generalized treatment. This shows that the error passes through a maximum in accordance with an empirical observation by other workers. Crystal alignment procedures are examined in the light of the results.
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  • 34
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    Applied crystallography online 2 (1969), S. 259-261 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A storage oscilloscope has been attached to the IBM 1800 computer that is used for pole-figure data acquisition. It allows fast plotting of pole figures by modulation of the cathode ray beam according to the pole density as it scans the stereographic projection along a spiral path. The time needed to plot the pole figure is reduced by a factor of eight as compared with a mechanical plotter.
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  • 35
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 2 (1969), S. 281-288 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The axial thermal expansion of monoclinic and tetragonal ZrO2 and of monoclinic HfO2 was studied over the temperature range from room temperature to 1400 °C. The linear thermal expansion coefficients were calculated. Thermal expansion along (x 106 per °C) a = 10.31 monoclinic ZrO2, 11.60 tetragonal ZrO2, 9.34 monoclinic HfO2; b = 1.35 monoclinic ZrO2, – tetragonal ZrO2, 2.98 monoclinic HfO2; c = 14.68 monoclinic ZrO2, 16.08 tetragonal ZrO2, 13.10 monoclinic HfO2. Some aspects of the present study, such as anisotropy of thermal expansion and a pretransformation vibrational anomaly, are discussed briefly.
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  • 36
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 23 (1990), S. 18-20 
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    Notes: Anomalous X-ray scattering terms for Rb+ near the K-edge measured in diffraction experiments with synchrotron radiation range up to 4.71 (6) for f′′ and down to −9.80 (11) for f′, in agreement with values derived from the absorption spectrum.
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    Applied crystallography online 23 (1990), S. 35-42 
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    Notes: The X-ray reflectivity of bent perfect crystals is calculated from a model where the crystal is approximated by a stack of perfect-crystal lamellae which have a gradually changing orientation. A computer program is developed for calculation of the reflectivity of the composite crystal from the dynamical theory of diffraction. An approximate solution is also given where an analytical formula for the reflectivity of a non-absorbing lamella is used and the effects of absorption are calculated separately. Typically, in the Bragg case, the reflectivity curve has a steep edge and an exponentially falling slope, while in the Laue case the curve is almost rectangular if the absorption is not too large. The width of the curve is inversely proportional to the bending radius in both cases. Reflectivity curves were measured for the 111 and 400 reflections of Si with Mo Kα1 radiation. The agreement with analytical and computer calculations is good, particularly at small bending radii where the kinematical limit is approached.
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    Applied crystallography online 23 (1990), S. 63-69 
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    Notes: A method of measuring differences in lattice spacing with an accuracy of 1 part in 108 in a period as short as two minutes is described. The method uses one source of copper radiation and a triple-axis arrangement. Two of these axes are double-leaf silicon springs in monolithic crystal assemblies which achieve the high stability required by such measurements. Samples are easily changed and sequences of measurements are performed entirely under computer control. The method is demonstrated by a comparison of the lattice spacings of four samples which reveals differences of up to 60 parts in 108 between silicon crystals of different origins.
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  • 39
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    Applied crystallography online 23 (1990), S. 77-78 
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  • 40
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    Applied crystallography online 23 (1990), S. 105-110 
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    Notes: Some experimental results are presented for an elastically bent perfect silicon crystal in a strongly asymmetric diffraction geometry as a neutron monochromator. The use of this unconventional geometry of the monochromator appears to be suitable for a wide (several centimetres) incident polychromatic beam, when, thanks to the spatial condensation of the diffracted neutrons (Fankuchen effect), a high monochromatic beam density may be obtained. Furthermore, when using focusing in real and in momentum space by adjusting an optimum bending radius, the intensity diffracted by a sample may be comparable even with the best mosaic monochromators such as highly oriented pyrolytic graphite (PG). A comparison is demonstrated on the rocking curves of a strongly mosaic Ni–Al(020) crystal obtained with the monochromatic beam from bent Si(111), Si(400) and from PG(002), Cu(220) mosaic monochromators.
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    Applied crystallography online 23 (1990), S. 134-135 
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    Notes: Bhatia & Thornton [Phys. Rev. B. (1970), 2, 3004–3012] have derived the formula that relates the scattering intensity of a binary system to the Fourier transform of the local number density and concentration. For the intensity at the limit of zero scattering angle, the same formula can be derived by a much simpler process.
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    Applied crystallography online 23 (1990), S. 142-143 
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    Applied crystallography online 23 (1990), S. 144-146 
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    Applied crystallography online 23 (1990), S. 169-174 
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    Notes: Single-crystal synchrotron-radiation Laue photographs of protein crystals and viruses are densely populated and a considerable amount of spatial overlapping of spots often occurs on the films. An integration procedure which enables the efficient deconvolution of these spots in order to obtain their integrated intensity has been developed and implemented. Some results are given for glycogen phosphorylase b and tomato bushy stunt virus. A comparative study of reflections overlapped on one exposure and separated on another, taken from the same crystal at a longer crystal-to-film distance, gives merging statistics comparable to those from the treatment of spatially separated spots only. In all cases the majority of the spatially overlapped data is made available for subsequent analyses.
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    Applied crystallography online 23 (1990), S. 211-212 
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    Notes: Previous reports by Rosenzweig & Morosin [Acta Cryst. (1966). 20, 758–761], Liminga & Abrahams [J. Appl. Cryst. (1976). 9, 42–47] and Svensson, Albertsson, Liminga, Kvick & Abrahams [J. Chem. Phys. (1983). 78, 7343–7352], that the more steeply pointed ends of α-LiIO3 crystals grown from aqueous solution with 3 ≤ pH ≤ 7 have the apex of each pyramidal IO−3 ion pointing toward the direction which develops a positive polarity (d33 〉 0) under tensile stress applied along the polar hexagonal axis, have been confirmed contrary to the conclusion of Yang Hua-guang, Zhang Dao-fan, Chen Wan-chun & Li Yin-yuan [J. Appl. Cryst.(1989). 22, 144–149]. The error leading to the latter conclusion is identified.
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    Applied crystallography online 23 (1990), S. 223-223 
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    Applied crystallography online 23 (1990), S. 222-223 
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    Applied crystallography online 23 (1990), S. 228-233 
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    Notes: Synchrotron radiation has been used to measure the rocking curves from a (GaIn)(AsP) single layer grown on an InP (100)-oriented substrate. For angles of incidence ΦB = (ΘB − φ) ≤ 0.7° measured at the Bragg angle ΘB (φ is the angle between the diffracting lattice plane and the surface), the rocking curve (RC) is very strongly influenced by total external reflection (TER). This causes a decrease in the full width at half-maximum (FWHM) and an asymmetrical shape for the RC for small ΦB. Both of these effects are due to the Bragg-angle shift from the actual incident angle Φ which is not considered in the conventional dynamical theory. In this paper the essential influence of TER on any thin-layer rocking curve is investigated using a numerical solution of the extended dynamical theory. The pattern can be interpreted up to ΦB ≥ ΘC (ΘC is the angle of TER) by semiempirical incorporation of the results of the extended theory with the coupling formalism of Barrels, Hornstra & Lobeek [Acta Cryst. (1986). A42, 539–545].
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    Applied crystallography online 23 (1990), S. 277-281 
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    Notes: The ferroelectric ferroelastic phase transitions of tetramethylammonium tetrachlorozincate (HTMA) were observed by standard X-ray topography and by synchrotron topography. Observation of the phase boundary is possible in the latter case. The different kinds of domain walls observed in the ferroelastic phase cast doubts on the commonly assumed symmetry group of this phase.
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    Applied crystallography online 23 (1990), S. 180-185 
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    Notes: A theory is presented describing convolutional properties of the reduced intensity distribution (intensity divided by the square of the atomic factor and multiplied by the scattering-vector length). The approximation used, verified on model data, leads to a relation between the effect of the multiple running average routine applied to reduced intensity and both normalization constant and local atomic density in the neighbourhood of any given atom. This enables an estimate of the normalization constant and the local density to be made with a high degree of accuracy. The effect of the choice of adjustable parameters in the running average routine is discussed. The procedure to calculate the interference function in the presence of an unknown background varying slowly with the scattering vector is presented.
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    Applied crystallography online 23 (1990), S. 212-214 
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    Notes: This paper describes an instrumental artifact which has been observed in three Nicolet P3F diffractometers. In cases where the peaks are very sharp in ω, the artifact causes azimuthal or ψ scans to appear very noisy and to show a complex periodic variation of intensity with ψ. These intensity variations are reproducible. A simple correction is described which, when applied to the data, dramatically improves the appearance of these aberrant ψ scans. This correction is not limited to ψ scans and should improve the quality of all data collected on the machine.
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    Applied crystallography online 23 (1990), S. 225-227 
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    Notes: A computer-oriented procedure for the generation of the symmetry of the multiple implication function has been developed. The symmetry of the multiple implication function, referred to its own conventional unit cell, is tabulated for all space groups.
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    Applied crystallography online 23 (1990), S. 253-257 
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    Notes: A method is presented which indexes spots recorded on single oscillation images without any a priori knowledge of cell parameters. The strategy is similar to that used in four-circle diffractometry and the method works in a fully automatic manner. It is applicable to multiple oscillation images or multiple stills. A complementary method is also described to obtain orientation angles for the case where cell parameters have already been determined.
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    Applied crystallography online 23 (1990), S. 351-354 
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    Notes: A photographic Weissenberg camera has been constructed which can be mounted on the 2θ arm of a four-circle diffractometer. At a distance of 0.5 m from the sample the 2θ resolution for a 100 μm crystal is 0.2 mrad (0.01°), allowing a high-resolution mapping of reciprocal space at a synchrotron source in an efficient way. As sample experimental results, a study is presented of the streak system around the 111 reflection of a perfect germanium crystal and the detection of a minute phase transformation in a single-powder grain of a high-Tc superconductor.
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    Applied crystallography online 23 (1990), S. 378-386 
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    Notes: The accuracy of the Chebyshev expansion coefficients used for the calculation of attenuation correction factors for cylindrical samples has been improved. An increased order of expansion allows the method to be useful over a greater range of attenuation. It is shown that many of these coefficients are exactly zero, others are rational numbers, and others are rational fractions of π−1 The assumptions of Sears [J. Appl. Cryst. (1984), 17, 226–230] in his asymptotic expression of the attenuation correction factor are also examined.
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    Applied crystallography online 23 (1990), S. 397-400 
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    Notes: A single-crystal study on AlPO4 was performed at 2.90 (7) GPa with synchrotron radiation using a diamond-anvil cell with a beryllium gasket. For the data collection the radiation wavelength of only 0.54 Å, was chosen to minimize the absorption of X-rays in the pressure cell. The diffracted intensity was high enough to measure even weak reflections with sufficient counting statistics. The refined structural parameters are in good agreement with those determined from data collected with a conventional X-ray tube.
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    Applied crystallography online 23 (1990), S. 418-423 
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    Notes: High-resolution transmission electron microscopy (HRTEM) was used for examining Cd(S,Se) nanocrystals grown in silicate glasses commercially available as optical filters. The lattice images of the nanocrystals were numerated and submitted to filtering through Fourier transformation in order to sweep off the background signal originating mainly from glass. Optical filters from several firms were examined. The nanocrystals have been identified with Cd(S,Se) compounds crystallized in the wurzite structure, as in bulk material. The lattice images indicate crystallites having the shape of hexagonal prisms a little elongated along the c axis. The distribution of grain size differs according to the filter: the smallest size being about 1.5 nm (threshold for detection), the largest size varies from 7 to 10 nm, the average size sa, from 3–4 to 5–6 nm and the characteristic size sc from 5–6 to 7–8 nm (sc is the size of grains occupying the main part of the crystallized volume).
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    Applied crystallography online 23 (1990), S. 430-432 
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    Notes: A photodiode X-ray detector was built to measure small-angle X-ray scattering (SAXS) at a synchrotron-radiation source in conjunction with a double-crystal diffractometer SAXS camera at photon energies between 5 and 11 keV. The photodiode detector response in this energy range is linear at photon counting rates up to 1012 photons s−1 and thus it was not necessary to attenuate the monochromatic X-ray beam with calibrated foils. SAXS data taken with a scintillation counter and the photodiode detector are compared, demonstrating marked improvement in counting statistics, rate of data acquisition and signal-to-noise ratio.
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    Applied crystallography online 23 (1990), S. 441-443 
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    Notes: The X-rays emitted from a laser-produced plasma have been used to obtain powder diffraction patterns with exposures of less than a nanosecond. The X-rays were produced by focusing approximately 50 J of 0.53 μm laser light in a 600 ps (FWHM) pulse to a tight (1̃00 μm diameter) spot on a solid titanium target. The spectral brightness of the resonance line of the helium-like titanium thus produced was sufficient to record diffraction from LiF powder in a single exposure using the Seemann–Bohlin geometry. These results indicate that time-resolved measurements of the lattice parameters of polycrystalline materials can be made with sub-nanosecond temporal resolution.
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    Applied crystallography online 23 (1990), S. 446-446 
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    Applied crystallography online 23 (1990), S. 476-484 
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    Notes: The use of a one-dimensional position-sensitive detector for diffuse X-ray scattering measurements is described. Calibration procedures for scattering angle and intensity measurements are discussed. Some nonuniformities have been found in the counting efficiency as a function of distance along the detector. A procedure is described for measuring the diffuse scattering in a section of reciprocal space.
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    Applied crystallography online 23 (1990), S. 497-508 
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    Notes: The elastic diffuse neutron scattering of an NbC0.73 single-crystal has been measured at room temperature on two different spectrometers, the four-circle D10 at the HFR–ILL (Grenoble), and the two-axis G44 with time-of-flight analysis at the Laboratoire Léon Brillouin (Saclay). The data were treated either by Fourier transformations or by least-squares fit. The short-range-order parameters and the interatomic static displacements obtained by the various experiments and/or data treatment are in good agreement: carbon vacancies tend to be third neighbours in the f.c.c. metalloid sublattice and metal atoms relax away from the vacancy first neighbours by 0̃.05 Å. It is shown that the treatment of diffuse scattering data limited to two reciprocal planes [(001) and (1{\bar 1}0)] gives satisfactory results.
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    Applied crystallography online 23 (1990), S. 526-534 
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    Notes: Following the profile decomposition of CeO2 X-ray powder data into individual structure factors, the maximum-entropy method (MEM) has been used to obtain an electron-density-distribution map. In the profile decomposition process, it is impossible to avoid the problems of overlapping peaks which have the same magnitude of reciprocal vectors, such as d*(511) and d*(333), for a cubic crystal, or very severely overlapping reflections. The formalism to treat such overlapping reflections in the MEM analysis is to introduce combined structure factors. The maximum value of the scattering vector, 4π(sinθ)/λ, which was used in the present analysis is small (about 7.8 Å−1) but the resulting electron-density-distribution map is of a high quality and much superior to the conventional map. As a consequence, the ionic charge of Ce and O ions can be obtained with reasonable accuracy from the MEM density map. Furthermore, the map reveals the existence of electrons around the supposedly vacant site surrounded by eight O atoms, which is probably related to the high ionic conductivity of this substance.
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    Applied crystallography online 23 (1990), S. 558-558 
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    Applied crystallography online 23 (1990), S. 560-560 
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    Applied crystallography online 24 (1991), S. 18-29 
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    Notes: A previously described method of synthesizing a real-space distribution of scattering points which will give rise to virtually any required diffraction pattern has been investigated from the point of view of trying to establish the rôle that the phase of individual modulations plays in determining the real-space structure. For an object involving continuous random variables, the choice of phase cannot affect the diffracted intensity and phases can be chosen freely. Although such variation of phases does not affect the diffracted intensity, the real-space amplitudes are no longer normally distributed and the structures will in general contain non-zero multisite correlations. For an object involving binary variables (such as site occupancy), it is shown that the phases of individual elementary volumes of reciprocal space not only contain information about multisite correlations, but also contain the information that the object is binary. It is also shown that the information concerning multisite correlations can be, at least partially, transferred to an object giving a different diffraction pattern by using a known set of phases with a different set of amplitudes.
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    Applied crystallography online 24 (1991), S. 63-63 
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    Notes: Establishment of absolute structures requires measurement of Bijvoet differences with a right-handed set of axes. There can be pitfalls in the satisfaction of this requirement, and a very simple method of assessing this hand is described.
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    Applied crystallography online 24 (1991), S. 66-70 
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    Notes: Restraint equations suitable for incommensurate (IC) structure refinement by least squares are defined. Other quantities used in the final results analysis are reviewed. The main purpose of such a restrained refinement is to prevent high local variations of stereochemical parameters (e.g. bond lengths and/or angles), leaving the corresponding average values to be refined. The method is a natural generalization of that commonly used for commensurate structures and in some cases does not require user-supplied parameters.
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    Applied crystallography online 24 (1991), S. 78-78 
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    Applied crystallography online 24 (1991), S. 96-101 
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    Notes: Accurate measurement of the deviation from coincidence orientation for grain boundaries allows the intergranular dislocation structure to be predicted. For hexagonal symmetry, the deviation may generally be split into two components: a pure rotation and a deformation. This rotation may be determined directly by measuring the displacement of rational common zone axes across the grain boundary plane, independently of any coincidence site lattice (CSL). The precision on the elements of the rotation – axis and angle – depends strongly on the sharpness of the Kikuchi lines. For deformed and annealed magnesium, a precision of 10° on the axis position and of 0.2° on the rotation angle has been obtained.
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    Applied crystallography online 24 (1991), S. 196-196 
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    Applied crystallography online 24 (1991), S. 197-202 
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    Notes: A complex standardless mineral-analysis method is described which determines both the concentrations and the chemistry of minerals in a batch of m ≤ w + t suitable rock samples, where w and t are the numbers of crystalline and amorphous minerals, respectively. The method is based on data from X-ray diffractometry and the bulk chemistry of the samples. Analytical examples are given. The problem of the accuracy of the analysis is discussed.
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    Applied crystallography online 24 (1991), S. 30-37 
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    Notes: The design and operation of a new small-angle X-ray scattering instrument, optimized for high throughput at a synchrotron source, high angular and wavelength resolution, large sample cross-sectional area, accurate energy tuning, excellent signal-to-noise ratio and harmonic rejection are presented. The principles of design and implementation are given, as are the details of primary calibration of absolute intensity and experimental desmearing. The instrument has been tested for application to anomalous-scattering measurements near the chromium K edge. Preliminary results on samples of a heat-treated steel are presented as a demonstration of the capability of this experiment to separate the microstructure evolution as a function of temperature of a chromium-rich precipitate from the thermal behavior of other precipitates in the steel.
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  • 74
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    Applied crystallography online 24 (1991), S. 61-63 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A new powder diffractometer has been designed which can be used for various experimental geometries such as the long-arm Bragg–Brentano method, Guinier method and parallel-beam method. The X-ray source, goniometer and scintillation counter are placed on rails so that the source-to-monochromator, monochromator-to-sample and sample-to-counter distances can be changed arbitrarily. A FWHM of 0.07° for the Kα1 peak of the silicon 111 reflection was obtained by lengthening the counter arm in the Bragg-Brentano method. Rather high angular resolution was achieved by the Guinier and parallel-beam methods for organic samples having poor crystallinity and low absorption.
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  • 75
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 24 (1991), S. 266-266 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 76
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    Applied crystallography online 24 (1991), S. 286-292 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The crystal structure of magnesium boron nitride in the low-pressure phase, Mg3BN3(L), has been solved ab initio from X-ray powder data. The cell is hexagonal (space group P63/mmc, Z = 2) with a = 3.54453 (4), c = 16.03536 (30) Å. Initial positional parameters for the Mg atoms were obtained from Patterson functions generated by 50 integrated intensities derived from a whole-powder pattern decomposition. The remaining atoms were located by trial-and-error model building, followed by Rietveld refinements (Rwp = 8.5%). The structure can be described as consisting of ABB′BACC′CA... layers perpendicular to the c axis with linear N=B=N molecular anions at position A, Mg2+ at positions B and C and Mg2+ with three coordinating N atoms at positions B′ and C′, although Mg3BN3(L) is not a layer compound. A very similar structure has also been obtained by applying standard direct methods to the same intensity data. A high-quality electron-density map has been calculated from the structure factor data using the maximum-entropy method.
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  • 77
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    Applied crystallography online 24 (1991), S. 316-323 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Measurements of lattice distortion due to a slip band were carried out and compared with the theoretically estimated values. A simple model of a single-slip system with uniformly distributed dislocations in a narrow planar slip band was adopted. It was shown that both the effect of all dislocations in the slip band and the surface relaxation must be taken into account.
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  • 78
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    Applied crystallography online 24 (1991), S. 365-368 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is presented for indexing the powder diffraction lines from incommensurate structures by a systematic search of reciprocal space, choosing a propagation vector length derived from a satellite reflection in the powder diagram. An interactive computer program gives a graphical display of the direction of the propagation vector which gives the best fit to the pattern.
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  • 79
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    Applied crystallography online 24 (1991), S. 190-193 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The application of single-board microcomputers as programmable interfaces simplifies the construction of complex diffractometer control units. The amount of hardware components of the control units is reduced and the structure of the circuits is easy to survey. These intelligent multipurpose single-board microcomputers unburden the personal computer and simplify the development of the diffractometer measuring program. The presented solution is based on an Atari 1040 STF. The concept, however, can be applied to any type of personal computer.
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  • 80
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    Applied crystallography online 24 (1991), S. 193-195 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A Fortran computer program is described which performs three-dimensional electron-density cage contouring together with atomic structure model display on a Tektronix-4100 command graphics terminal hosted to a VAX/VMS computer. The program also supports ball-and-stick visualization of the model, on-line manipulation of the display and convenient hard-copy output. Such a program is useful in a research environment where an expensive graphics workstation is not readily available and hard copies of publication quality are often desired.
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  • 81
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    Applied crystallography online 24 (1991), S. 212-221 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The principles of the monolithic X-ray magnifier based on two successive asymmetric non-coplanar diffractions from the same crystal are analyzed from the geometrical point of view. The conditions of the distortion-free two-dimensional pattern magnification are formulated by means of matrix formalism. The general solution of the problem of determination of the crystal surface planes satisfying the conditions of distortion-free magnification is derived in the closed form. The calculation is performed on the basis of the kinematical theory of diffraction. It is shown that the number of solutions is infinite for any given pair of diffraction vectors and magnification. General properties of the solution are illustrated by some examples. The effect of the refraction of X-rays on the pattern distortion is estimated. The results suggest that the refractive index correction has a negligible influence on the distortion of the magnified pattern. The results presented enable us to prepare monolithic X-ray magnifiers or demagnifiers that can be used in various fields of X-ray optics, especially in X-ray topography and X-ray lithography.
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  • 82
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    Applied crystallography online 24 (1991), S. 232-238 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Triple junctions in polycrystalline silicon for solar cell applications have been studied by TEM (transmission electron microscopy). The typical characteristic of these junctions is the existence of high-symmetry interfaces, i.e. twins of different order. Whenever the triple junction contains two such interfaces, the intersection axis is a CSL (coincidence site lattice) symmetry axis. In this case the mutual relation of the grain boundaries of the triple junctions is revealed by symmetry rules, since the boundaries are described by symmetry elements of the corresponding CSL which do not belong to the symmetry group of the parent lattice. Therefore, the different variant orientations of these CSL symmetry elements, implied by the symmetry of the lattice, are used for the study of triple junctions. A junction is geometrically characterized by the point-group-symmetry properties. The observations concern symmetrically different triple junctions of the same type of macroscopically stable grain boundaries and faceted and microfaceted interfaces. It is shown that in silicon the thermodynamically favored twins are combined by specific symmetry rules. The results are discussed in accordance with the possible growth mechanisms.
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  • 83
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    Applied crystallography online 24 (1991), S. 243-254 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The theoretical predictions of the triple isotopic substitution (TIS) method in small-angle neutron scattering have been confirmed experimentally. A unique advantage of the method, namely the possibility to make part of a complex particle `invisible' in normal (H2O) buffer, is demonstrated. Particle association, the addition of `small' molecules (such as glycerol) or `large' molecules (such as pyruvate kinase) in the solutions under study have been shown not to influence the difference scattering curve obtained. The possibility of extracting normalized interparticle interference functions from the TIS data is discussed. This enables the detection of the presence of aggregates (e.g. dimers) in the solution, even in cases where the molar mass of a particle and/or its concentration are unknown. A simple internal test is suggested which checks whether or not sufficient conditions for the applicability of the method are fulfilled.
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  • 84
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    Applied crystallography online 24 (1991), S. 264-264 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 85
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    Applied crystallography online 24 (1991), S. 267-277 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The efficiency of data collection using the Laue technique varies with the wavelength range, the crystal symmetry, the orientation of the crystal in the X-ray beam, the crystal-to-film distance and the acceptance angle of the detector. By optimizing these parameters and by taking advantage of the diffraction symmetry represented by the Laue class, it is often possible to collect a nearly complete data set in one or two exposures. This paper discusses general strategies for data collection and presents results from a computer survey to find optimal crystal orientations for the eleven Laue classes.
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  • 86
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    Applied crystallography online 24 (1991), S. 293-297 
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    Topics: Geosciences , Physics
    Notes: A method for empirical determination of TDS (thermal diffuse scattering) corrections in X-ray structure analysis is developed. Thermal diffuse scattering is introduced into the model suggested earlier [Chulichkov et al. (1987). Sov. Phys. Crystallogr. 32, 649–653; Laktionov, Chulichkov, Chulichkova, Fetisov, Pyt'ev & Aslanov (1989). J. Appl. Cryst. 22, 315–320] for measuring the Bragg reflection intensity profile with a four-circle diffractometer. The improved model in combination with the mathematical reduction method enables the extraction of TDS and background intensity values from the experimental intensity profile. Thus the problem of TDS correction in crystal structure refinement is solved without knowledge of the sample's elasticity constants. The comparison of TDS corrections obtained by this method with those calculated from elasticity constants for hexamethylenetetramine, C6H2N4, and sulfur, S8, crystals shows good agreement.
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  • 87
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    Applied crystallography online 24 (1991), S. 324-330 
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    Topics: Geosciences , Physics
    Notes: The lattice distortion due to the head of the slip band at the grain boundary is measured by double-crystal topography. The head of the slip band is approximated by a macrodislocation situated at the grain boundary. To interpret the topographs, the relaxation due to the free surface is included. The Burgers vectors of macrodislocations, i.e. the number of accumulated dislocations, are found.
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  • 88
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    Applied crystallography online 24 (1991), S. 369-402 
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  • 89
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    Applied crystallography online 24 (1991), S. 406-408 
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  • 90
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    Applied crystallography online 24 (1991), S. 624-634 
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    Notes: Small-angle neutron scattering (SANS) provides a powerful tool in the non-destructive characterization of statistically representative microstructures in technologically important disordered materials. While qualitative microstructural models must be provided by other methods such as transmission electron microscopy (TEM), SANS quantifies the microstructural parameters and can characterize scale-invariant (fractal) disordered materials such as cements, clays and porous rocks. H2O/D2O contrast-variation methods have proved particularly useful for investigating the accessibility of different parts of the pore structure and in differentiating between pore-volume access (measured by other methods) and pore-surface accessibility (likely to control sorption and leaching processes). This paper describes SANS studies of disordered porous materials, particularly the hydration of cement and the real-time permeation of water in clay minerals. Other microstructural effects are also considered.
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  • 91
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    Applied crystallography online 24 (1991), S. 638-644 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The microstructure of a coating deposited onto a tungsten carbide layer by cathodic sputtering assisted by chemical vapour deposition (CVD) has been analysed by small-angle scattering of X-rays (SAXS) with a conventional laboratory set-up specially adapted for grazing incidence. Anomalous-scattering measurements have also been performed at LURE, the French synchrotron-radiation facility at Orsay with the aim of characterizing the structure of phases present in the coating. SAXS results reveal the existence of very small precipitates; the size of these precipitates determined from the use of the Guinier approximation is about 16 Å, the correlation length deduced from the position of the peak in the small-angle scattering pattern is about 36 Å. The value of the experimental integrated intensity and the variation of the observed intensities with photon energy lead to the conclusion that these nanocrystals are highly enriched in tungsten and embedded in a carbon-based matrix having a weak electronic density. Electron diffraction results support the assumption of the presence of β-WC1 − x, an unstable high-temperature phase. Furthermore, the low electronic density of the matrix is in agreement with face-centred-cubic carbon recently proposed in the literature.
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  • 92
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    Applied crystallography online 24 (1991), S. 679-684 
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    Notes: Lamellar microdomains formed in the solvent-cast films of a poly[styrene-block-(ethylene-alt-propylene)] (SEP) diblock polymer were studied by small-angle X-ray scattering (SAXS). The SAXS profiles, displaying a series of peculiar scattering maxima which cannot be ascribed to the higher-order diffraction maxima from a regular lamellar spacing, were analyzed based on a model of the one-dimensional paracrystal with a preferential orientation. The results suggest that these maxima are due to higher-order scattering maxima from single lamellar microdomains. The maxima suggest that the relative standard deviation for the distribution of the polystyrene lamellar size is much smaller than that of the lamellar spacing, giving rise to a situation in which the oscillation of the particle factor with scattering vector h persists up to high h values while that of the lattice factor damps to unity at low h values. The SAXS result was interpreted as being due to a bending distortion of the polystyrene lamella with a smaller thickness and a narrower thickness distribution than those of the poly(ethylene-alt-propylene) lamella. A study by transmission electron microscopy tends to support this result.
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  • 93
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    Applied crystallography online 24 (1991), S. 436-443 
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    Notes: A survey is given of recent work on the use of small-angle neutron scattering to examine colloidal dispersions. Particular attention is given to the determination of particle size and polydispersity, the determination of particle morphology and the behaviour of concentrated colloidal dispersions, both at rest and under the influence of an applied shear field.
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  • 94
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    Applied crystallography online 24 (1991), S. 910-912 
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    Notes: The results of intensity profile analysis of Bragg reflections are used for the calculation of the reflectivity Q(Δθij, σij) = W(Δθij, σij)(|F|2Lp)ij in the energy transfer equation for multiwave X-ray diffraction in crystals. The diffraction profiles in the profile analysis are fitted by different analytical functions and the fitting results are used for modelling the multiwave diffraction. The results of modelling multiwave diffraction in Si and V3Si crystals with different grades of perfection demonstrate that the method suggested here is sensitive to the content of defects in crystals and can be used not only for simultaneous reflection correction in X-ray structure analysis but also for estimation of single-crystal perfection.
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  • 95
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    Applied crystallography online 24 (1991), S. 928-930 
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    Topics: Geosciences , Physics
    Notes: While the deviations from linearity of ε−sin2ψ curves in the case of two welded hot-rolled C40 steel bars were being studied, this paper was prompted by the observation that, at ψ = 0°, the diffraction angle 2θ depends on φ, the inclination angle of the diffraction plane with respect to an arbitrarily chosen reference plane attached to the specimen. This result is unexpected and cannot be explained by bulk structural or microstructural factors. A surface effect is offered as a possible explanation.
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  • 96
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    Applied crystallography online 24 (1991), S. 946-950 
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    Topics: Geosciences , Physics
    Notes: The MOLSCRIPT program produces plots of protein structures using several different kinds of representations. Schematic drawings, simple wire models, ball-and-stick models, CPK models and text labels can be mixed freely. The schematic drawings are shaded to improve the illusion of three dimensionality. A number of parameters affecting various aspects of the objects drawn can be changed by the user. The output from the program is in PostScript format.
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  • 97
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    Applied crystallography online 24 (1991), S. 961-962 
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    Topics: Geosciences , Physics
    Notes: Modifications to the high-stability mounting device for the closed-cycle helium cryostat as developed by Henriksen, Larsen & Rasmussen [J. Appl. Cryst. (1986). 19, 390–394] are described. They allow use of the cryostat on the smaller Huber 511.1 diffractometer circle with a smaller source-to-sample distance and reduced blind and collision zones.
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    Applied crystallography online 24 (1991), S. 972-973 
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    Applied crystallography online 23 (1990), S. 1-5 
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    Notes: The small-angle neutron scattering technique is applied to a hot stretched 5% perdeuterated polystyrene sample in order to investigate the residual macromolecular orientation at various length scales. The observed orientation is left over after fast quenching (in ice water) of the hot stretched sample. Previous investigations focused on how much polymer chains follow the external stretching. It is found that, even when macromolecules follow the external stretching affinely on the average, they do not deform uniformly. Moreover, over the time scale of the temperature quench, small chain portions relax more rapidly than large ones.
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    Applied crystallography online 23 (1990), S. 21-25 
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    Topics: Geosciences , Physics
    Notes: Anisotropic diffuse scattering of the one-dimensional conductor K-hollandite has been measured at a synchrotron source and compared with measurements with a rotating anode. The intensity gain of more than one order of magnitude and the ability to adjust the wavelength provide the counting statistics in a few hours that are necessary for a quantitative analysis of diffuse phenomena. The main advantage of a synchrotron source is the high resolution throughout reciprocal space (low and high Q). Thus, commensurate/incommensurate positions of diffuse layers may be distinguished, weak diffuse maxima become detectable and small peak shifts of diffuse modulations clearly visible. Correlation functions may be determined directly from the diffuse profiles without tedious resolution corrections. These features are essential for a dedicated instrument at a storage ring.
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