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  • 1
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 27-32 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A technique is described for the determination of crystallographic polarity which is generally applicable to large polar crystals containing an element heavier than K. It is an extension and simplification of Cole & Stemple's method in which the intensities diffracted by (00 l) and (00\overline l) planes are compared at wavelengths close to an absorption edge of a constituent element. A definitive polarity determination may now be made without previously measuring or assuming values of Δf′ and Δf′′ at the edge.
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  • 2
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 101-102 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 3
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 110-112 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is suggested, using diffraction line displacements, to facilitate simultaneous determination of one-dimensional strain in a particular direction in the surface of a polycrystalline material and of the lattice parameter corresponding to the unstressed state. A single exposure at perpendicular incidence of the primary X-ray beam enables both values to be obtained. Full advantage is taken of the ratios of diffraction ring diameters.
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  • 4
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 120-123 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computer program has been written for the evaluation of the size of coherently diffracting domains, microstrains, and stacking fault probabilities for f.c.c. and h.c.p. single crystals. After correcting for instrumental effects, the Warren–Averbach analysis is applied to reflections which are not affected by stacking faults. The fault-broadened peaks are then analyzed and the results plotted.
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  • 5
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 137-145 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The methods of Lake [Acta Cryst. (1967) 23, 191] and Schmidt [Acta Cryst. (1965) 19, 938] for calculating slit-length collimation corrections in small angle X-ray scattering have been compared in a number of tests. The tests showed that under most conditions neither method introduces errors larger than the expected uncertainty in present-day scattering data and that slit-length corrections are relatively insensitive to small changes or errors in the weighting function. Neither method is extremely sensitive to random errors in the measured intensity but the effect of these errors is somewhat smaller with Schmidt's method than with Lake's. Three cases were found in which one of the correction methods should be avoided or used with caution: with Schmidt's method errors are produced in the outer part of the scattering curve if the angular increment is too large – a criterion has been developed for determining acceptable increments; if Lake's method is used in an angular region in which a scattering curve has subsidiary maxima or minima, more iterations may be necessary than are required for monotonically decreasing scattering curves; the usual form of Lake's method, which was developed to converge rapidly with curves which have a zero-angle maximum, was sometimes found to give appreciable errors for curves with a pronounced minimum at zero scattering angle. When the latter type of curve is corrected by this method, precautions should be taken to ensure that the collimation correction is not introducing errors.
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  • 6
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 179-180 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A modification of the refinement procedure proposed by Shoemaker & Bassi [Acta Cryst. (1970). A26, 97] is described in which the correction to the unitary orientation matrix, valid to second order in the small rotational adjustment, is applied after constraints due to crystal symmetry (which is presumably lost owing to measurement errors) have been applied to the lattice constants, and in such a way as to preserve (to second order) the unitary character of that matrix.
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  • 7
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 185-187 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Two computer programs, for use with an Elliot 803 machine, are described. These programs enable atomic projections from any crystal system, other than the triclinic, to be constructed in a relatively short time.
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  • 8
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 157-164 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Three methods are described of eliminating the influence of the satellite group in the variance method of X-ray line profile analysis. The first is to interpolate the line profile under the satellite group: however, the satellite group must be reasonably well distinguished from the α1 tail and from the background. The second method is to correct the experimental variance-range curve by a graphical construction: this assumes that the satellite lines and the broadening function are Cauchy in form. The third method is to compute the necessary corrections to the slope and intercept of the linear variance-range function by using model spectral distributions with and without the satellite group. The first two methods are applied to profiles from powders of iron and iron alloys studied with iron radiation, the third method uses an analytical model of the spectral distribution of the iron Kα multiplet. The corrections given by these methods to be made to the slope and the intercept of the variance-range function are nearly constant for all but the smallest amounts of particle-size broadening. It is also shown that particle sizes determined either from slope or intercept of the variance will be underestimated if correction is not made for the satellite group.
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  • 9
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 243-250 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Samples of the ferrimagnetic material Ba3Co2Fe24O41, pre-aligned in a magnetic field and sintered at various temperatures, have been examined for preferred orientation. Schulz's reflection technique and the standardizing method of Holland were used to determine quantitative pole figures of several lattice planes. The texture bears a close resemblance to a `fan texture' in which the crystallites have their basal planes parallel to a preferred direction. The sharpness of the texture increases with increasing sintering temperature. At 1320°C an exaggerated grain growth takes place. Inhomogeneity of the magnetic field throughout the sample results in local differences in orientation.
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  • 10
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 272-277 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A procedure involving the use of Fourier coefficients is suggested for the separation of the el component from an experimental diffraction profile. In contrast to the well known Rachinger method, the procedure described here does not require experimental data at any predetermined intervals. Furthermore, the separation error, if any, is evenly distributed. As in the Rachinger method, prior knowledge of the α1−α2 angular separation and the ratio R = Iα2(max)/Iα1(max) is assumed. If, however, R is unknown, then the mathematical analysis can be extended to determine the value of R.
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  • 11
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 284-284 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 12
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 288-288 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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  • 13
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 297-305 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The local atomic arrangements in an Au-40 at.% Pd alloy were investigated by measuring the X-ray diffuse scattering from a single crystal. A computer simulation of the short-range structure was used in the interpretation of the diffuse scattering results. The interpretation indicated a tendency toward the formation of a tetragonal AB long period superlattice which has not previously been observed to occur. The static displacements of the atoms from their average positions were shown to be very small in this alloy.
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  • 14
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 313-318 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is presented for correction of integrated X-ray intensities for preferred orientation in cubic powders. It is based upon examination of the polar axis density distribution, which describes the orientation of crystallites in the specimen, and upon the use of a cubic harmonic expansion in its representation. The method was tested on four specimens of aluminium, which showed different degrees of preferred orientation. The (111), (200) and (220) lattice plane normal distributions of the specimens were determined by measurement of the integrated intensities for various polar angles. Cylindrical symmetry was effected with a specimen spinner. The corrections to the Bragg reflections were derived from the orientation distribution obtained; they ranged from 0.5 to 12%. The final values were in agreement, to the extent of 1% or less, with those of a specimen in which the orientation distribution was random within the limits of experimental error.
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  • 15
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 342-348 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A simple and rapid procedure for orientating electron diffraction patterns required for the simultaneous determination of the Burgers vectors of dislocations in twin related or coincidence site related crystals is described. The determination of the Burgers vectors of dislocations in twin related zinc crystals is used as an example of the procedure. The procedure is applicable to all crystal structures and is based on the detailed analysis of the rotations about the optical axis and goniometer tilt stage axis of an electron microscope required to produce desired diffraction patterns from the two crystals of interest. The analysis also illustrates the way in which the tensor notation may be used in elementary vector algebra applied to lattice geometry.
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  • 16
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 385-388 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The diffuse X-ray scattering from single crystals of 36:64 and 50:50 KCl–KBr solid solutions has been studied. The analysis of the results, which follows the method described by Borie, is based on the approximation of a solid solution Cl−–Br−. The observed values of the distortion constant for the chloride ion are 2–3 times greater than those calculated on the basis of the conventional values of ionic radii.
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  • 17
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 389-392 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The isomorphisms and the transition points of K2MoO4, K2WO4, RbMoO4 and Rb2WO4 were studied and the cell constants of the occurring phases computed.
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  • 18
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 400-403 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is described for obtaining X-ray diffraction photographs, equivalent to those obtained under single-crystal rotation conditions, from materials available only in the form of fine microcrystalline powders of acicular or platy habit. The technique involves dispersing the crystalline powder in an appropriate thermoplastic polymer followed by streaming orientation of the particles in an extrusion process. The particles are held in their new positions by solidification of the polymer melt. With acicular powders, and using a polyethylene matrix, the orientation is improved by cold drawing. The oriented composite is immediately ready for X-ray studies.
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  • 19
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 407-409 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A correlation is presented between the root-mean-square strain as measured for cold-worked f.c.c. metals and that calculated from anisotropic dislocation theory.
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  • 20
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 417-417 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Single crystals of hexagonal LiIO3 and its new tetragonal modification were grown in an aqueous solution using the evaporation method under almost identical growing conditions. The hexagonal crystal changed irreversibly to the tetragonal one at about 255°C. The latter belonged to the point group 4/m. The lattice constants were a = 9.73 and c = 6.15 Å.
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  • 21
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 422-422 
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  • 22
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 425-425 
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  • 23
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    Applied crystallography online 3 (1970), S. 423-423 
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    Applied crystallography online 3 (1970), S. 424-424 
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  • 25
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    Applied crystallography online 3 (1970), S. 496-503 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Cation ordering in magnesium and nickel ferrites was studied by X-ray diffraction measurements carried out at the temperature of equilibration and also on quenched specimens. The order parameters on quenched specimens agreed with results previously reported by others but not with values measured at temperature. Previous results on quenched specimens had been described by a simple mass action relation with constant ordering energy. The new results on equilibrated specimens require a modified Bragg–Williams-type relation in which the ordering energy varies with the degree of order. Both ferrites are inverted when in equilibrium at low temperature. Magnesium ferrite approaches a random distribution at high temperature with a Curie point at about 1070°C. Oxygen positional parameters were 0.243±0.001 for both ferrites at room temperature. The lattice parameter of nickel ferrite quenched from temperatures up to 1255°C was 8.3295±0.0001 Å. For magnesium ferrite the lattice parameter varied from 8.3775±0.0001 Å, when quenched from 784°C. to 8.3848, when quenched from 1271°C.
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 409-410 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The speed of the conventional process of X-ray diffraction photography can be greatly improved by the use of a new industrial X-ray film and a fluorescent screen. This process produces a transparent film with about a tenfold decrease in exposure time and at a cost less than that of standard nonscreen film.
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  • 27
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 3 (1970), S. 413-417 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The lattice type of the co phase in Ti–30%V alloy was determined with the X-ray precession method. Plane-net patterns of reciprocal lattice levels, normal to [110], [100], and [111] directions of the β phase, indicate that the ω phase has a b.c.c. structure with a lattice parameter three times that of the β phase.
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    Applied crystallography online 3 (1970), S. 419-421 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The increasing use of the electron microprobe analyser in research laboratories in recent years renewed the interest in the Kossel line method. Since it is possible to obtain diffraction patterns from selected areas – smaller than 5 microns diameter – this technique has been applied to measure the grain orientation in polycrystalline materials. Comparing the different published methods of interpreting the Kossel patterns, it has been found more convenient to use a digital computer with a peripheral graph plotter to obtain charts.
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    Applied crystallography online 3 (1970), S. 551-552 
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    Applied crystallography online 4 (1971), S. 43-50 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The variance of the X-ray spectral distribution in the Cu Kα multiplet has been redetermined with improved accuracy and over a wider range than previously. This investigation is parallel to that of Edwards & Toman on iron radiation, with which comparison is made on the following points: (i) the effect of using a β-filter and (ii) the effect of interpolating the line profile under the Kα satellite group. Both definitions of the variance are considered and three linear regions can generally be distinguished in the variance–range function. The choice of definition and the usefulness of the different linear regions in any practical application are also discussed.
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    Applied crystallography online 3 (1970), S. 542-543 
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    Notes: For accurate absorption-correction calculations, a precise knowledge of the crystal shape is essential. A least-squares determination of the coordinates of the crystal apices according to the analytical expressions derived is obtained by taking a series of silhouette photographs of the crystal directly on an X-ray diffractometer with a pinhole in the incident beam and using soft continuous X-radiation.
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    Applied crystallography online 3 (1970), S. 546-547 
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    Topics: Geosciences , Physics
    Notes: Ferroelectric domains in lithium niobate are equivalent to inversion twins and can be displayed in X-ray diffraction topographs using the phenomenon of anomalous dispersion of X-rays.
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    Applied crystallography online 4 (1971), S. 103-109 
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    Notes: At the stoichiometric 1 : 1 ratio of atoms, the cubic NaCl-type monoxides TiO, VO and NbO have a large number of vacant sites on both the metal and oxygen sublattices. X-ray determinations of the thermal expansions of these materials show quite distinct differences. At 298 °K, the coefficients of linear expansion defined as α = (1/a)(da/dT) are as follows: (TiO)0.856(\square)0.144, α = 6.6 (7) x 10−6; (VO)0.848(\square)0.152, α = 9.3 (6) x 10−6; (NbO)0.750(\square)0.250, α = 4.8 (0) x 10−6. Progressive filling of the vacancies in titanium monoxide merely shifts the expansion curves parallel to each other in the direction of higher lattice parameters.
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    Applied crystallography online 4 (1971), S. 130-138 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The theory of the X-ray double-crystal spectrometer is outlined. For a vertical rotation axis, crystal planes should be vertical and the X-ray beam horizontal. Geometrical errors are introduced by crystal tilts (departure from vertical) and misalignment (departure of central ray from horizontal). Even with perfect alignment a vertical divergence correction is required. A typographical error in Schwarzschild's analysis of these geometrical effects led to erroneous results by Schnopper, later corrected in an erratum. The physical significance of this revision is considered here. The resulting expression for relative wavelength error indicates that, for zero tilt, misalignment produces no significant errors in relative wavelengths. Geometrical errors are shown to be negligible in recent measurements of Bearden and very small in earlier work of Bearden & Shaw. The Williams vertical divergence correction, used by Bearden, is proven valid; the Parratt form, preferred by Schnopper, is incorrect. An alignment procedure which can reduce geometrical errors below 1 part per million is described. It employs a precision engineer's level (with autocollimating telescope) and a simple technique for grinding crystal faces parallel to atomic planes.
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    Applied crystallography online 4 (1971), S. 146-151 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Several applications of X-ray topography with Ru-filtered Ag Kα2 radiation are described. Two of these are variations of the Lang method combined with a Ru filter. The first one is to improve the Lang traverse pattern from a specimen crystal including locally highly distorted regions such as inclusions, as demonstrated for a pure iron crystal. The second is to obtain a traverse pattern from the whole area on the same topograph for a specimen including appreciably misoriented parts, by making the first slit wider than usual. This example has been shown for a Ge crystal. Another application is concerned with taking a topograph of an area as wide as of the order of the length of a line focus, in a shorter exposure time, with high resolution. Examples have been shown for Ge and Si crystals.
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    Applied crystallography online 4 (1971), S. 87-87 
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    Applied crystallography online 4 (1971), S. 89-90 
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    Applied crystallography online 4 (1971), S. 90-90 
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    Applied crystallography online 4 (1971), S. 93-95 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Primary normal alkylammonium halides crystallize in a preferred crystallographic orientation, forming single or twinned layers. The basal spacings are related to the number of carbon atoms within the homologous series, and are doubled in the twin layers. The orientation of the hydrocarbon chains between the ionic heads is discussed.
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    Applied crystallography online 4 (1971), S. 193-196 
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    Notes: Charts are given which provide a rapid and unambiguous way of attributing ideal orientations to regions of crystallite orientation distribution function plots for hexagonal materials.
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    Applied crystallography online 4 (1971), S. 201-204 
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    Notes: The design of a vacuum jacketed multiple-exposure back-reflection camera and the adaptation of this camera to a closed circuit pressurized helium cryostat has made it possible to determine lattice parameters by X-ray diffraction to temperatures as low as 25 °K without liquid gases. The advantages of this new design are: short exposure periods (5 to 30 minutes), multiple (usually 6) exposures on a single film at any temperature between 25 and 180 °K, elimination of film shrinkage and hence, high precision lattice constants and thermal expansion coefficient determinations; easy detection of phase transformations. The lowest temperatures can be reached in 30 minutes.
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    Applied crystallography online 4 (1971), S. 240-241 
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    Notes: A method is proposed for precise parameter measurements based on the accurate recording of angular separation between Kα and Kβ diffraction lines. The accuracy and sensitivity of the method are discussed.
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    Applied crystallography online 4 (1971), S. 251-252 
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    Notes: A modification of the Lang traversing technique is described, which allows X-ray topographs of crystal arrangements, which are sensitive to mechanical vibration, to be taken. The application of the method to X-ray interferometry and moiré topography is discussed.
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    Applied crystallography online 4 (1971), S. 257-259 
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    Notes: A metastable phase TiCu3(m) has been prepared by rapid quenching from the melt (splat cooling). TiCu3(m) is orthorhombic, D0a type, with a0 = 5.450, b0 = 4.426, and c0 = 4.307 Å. Although TiCu3(m) is isotypic with a nonexistent equilibrium phase `TiCu3' reported in the literature, its structure is distinctly different from that of `TiCu3'; instead, TiCu3(m) is closely related to ZrAu3. A large metastable solid solubility of Ti in Cu was found.
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    Applied crystallography online 4 (1971), S. 180-181 
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    Applied crystallography online 4 (1971), S. 269-269 
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    Applied crystallography online 4 (1971), S. 270-271 
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    Applied crystallography online 4 (1971), S. 284-290 
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    Notes: The methods of normal probability plot analysis have been applied to two nearly complete sets of structure factors (Fmeas) and the corresponding objectively assigned standard deviations (σFmeas) obtained by diffractometer measurement with two different crystals of lutetium orthoborate. The least-squares derived positional and thermal vibration parameters are shown to be too small by a factor of 1.8, and the σFmeas to be overestimated by a factor of 1.55. The two sets of Fmeas are found to contain a small but parallel bias. The lattice constants of rhombohedral calcite-type LuBO3 are measured as aH = 4.91538±0.00002 Å and cH = 16.21200±0.00003 Å at 298°K, with six formulas in the unit cell, space group R\overline 3c. The Lu–O distance in this six-coordinated Lu compound is 2.240±0.002 Å (corrected standard deviation). The B–O distance in the BO3 triangular groups is 1.370±0.005 Å. The characteristic Θ temperature is estimated as 446±19°K.
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    Applied crystallography online 4 (1971), S. 317-318 
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    Notes: A differential method is presented for the evaluation of small-angle X-ray scattering data. The direct determination of slight changes in the radius of gyration of colloid particles is rendered possible by the method proposed.
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    Applied crystallography online 4 (1971), S. 326-328 
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    Notes: X-ray powder data for the compound U3Si have been obtained from an alloy prepared by arc melting uranium and silicon followed by a 7 day anneal at 800°C. The d spacing determinations have been extended into the back reflection to a 2&thgr; value of 167.4 °. The observed relative intensities are compared with calculated values.
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    Applied crystallography online 4 (1971), S. 331-332 
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    Notes: A diffractometer-mounted device for the controlled α-irradiation of the single crystals is described.
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    Applied crystallography online 4 (1971), S. 400-401 
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    Applied crystallography online 4 (1971), S. 337-339 
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    Notes: A previously given analysis of the combined specimen and beam tilt errors in Bond's single-crystal method of determining lattice parameters is extended and used to provide a method of obtaining parameters free from such errors from three separate measurements. The method requires that either the collimator or crystal be tilted by known angles between the measurements. An analytical and a simple graphical method of applying the procedure are described.
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    Applied crystallography online 4 (1971), S. 376-379 
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    Notes: Observations of preferred orientation in the rolled Pb substrate and in the anodically deposited tetragonal PbO of a Pb/PbO(t) voltaic cell, by X-ray diffraction, are reported. A Pb → PbO(t) transformation mechanism is described for the orientation relationship, (110)PbO(t)\mid\mid(100)Pb.
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    Applied crystallography online 4 (1971), S. 405-407 
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    Applied crystallography online 4 (1971), S. 434-440 
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    Notes: The Fourier coefficients of the X-ray diffraction line profiles from an ordered face-centred tetragonal (L10) structure such as MgIn or CuAu have been calculated assuming the presence of twin and incoherent boundaries on (101). It is found that reflection components with (h−l) = 0 are not affected by twinning on (101). The theoretical expression for the effective particle size is compared with some measured particle sizes for cold-worked MgIn.
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    Applied crystallography online 5 (1972), S. 47-50 
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    Notes: Diffusion experiments involving Pu–Cu, PuGa–Cu and PuGa–Ni couples, have brought into evidence the binary compounds PuCu2 and PuCu4, a ternary compound PuCu3 with variable small amounts of gallium and the ternary compounds Pu2Ni2Ga and PuNiGa. The crystalline parameters of these compounds were determined by the Debye–Scherrer method using alloys obtained by direct processing. Powder X-ray diffraction showed the isomorphism of PuCu2 with CeCu2 and that all the above compounds are orthorhombic.
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    Applied crystallography online 5 (1972), S. 54-54 
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    Applied crystallography online 5 (1972), S. 56-56 
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    Applied crystallography online 5 (1972), S. 78-83 
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    Notes: The diffraction properties of a cylindrically bent, focusing copper crystal are discussed. Measurements with a γ-diffractometer and a two-axis diffractometer for thermal neutrons gave a means of checking the behaviour of the crystal. The monochromator reflects neutrons of a large range of wave-vectors, between 5.5 and 6.8 Å−1. The wavelength depends on the direction.
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    Applied crystallography online 5 (1972), S. 90-92 
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    Notes: The formula giving the variation of X-ray intensity versus the diffraction angle due to dispersion factors and the form of the domains of coherent scattering is derived. For this case a general relation between the factor c of the Scherrer formula and the factor k = I(x)/Imax of the distribution curve is derived.
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    Applied crystallography online 4 (1971), S. 531-532 
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    Applied crystallography online 4 (1971), S. 452-461 
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    Notes: The respective rôles of precipitation hardening and reversible martensite reactions have been analysed in relation to development of textures in 17 %Ni-8 %Co-4 %Mo steel. Cold-rolling textures after 90 % reduction are independent of the heat treatment prior to rolling, and are described as mainly {001}〈\bar 110〉α′, and {557}〈\bar 110〉α′, components, with a {111}〈\bar 1\bar 12〉α′, component of lower intensity. The corresponding recrystallization textures produced by annealing in the austenite region vary according to prior heat treatment: solution-treated material exhibits a recrystallization texture consisting mainly of {557}〈\bar 110〉α′, and {̃510}〈\bar 150〉α′, components, whereas when precipitation of Ni3Mo takes place before the recrystallization anneal, the texture is more diffuse and contains, in addition to these components, a more even distribution of orientations which fie within a 〈111〉 fibre texture normal to the rolling plane. It is considered that the {557}〈\bar 110〉α′ + {̃510}〈\bar 150〉α′, recrystallization texture could be accounted for by a double shear transformation α′ → γ → α′, combined with texture sharpening during recrystallization in the austenite. It is necessary to invoke variant selectivity during the shear transformation in order to explain the absence of certain groups of orientations in the final α′ texture. The effect of Ni3Mo is attributed to restriction of grain boundary mobility in the austenite, so preventing sharpening of the texture at this stage by recrystallization.
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    Applied crystallography online 5 (1972), S. 142-142 
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    Applied crystallography online 5 (1972), S. 144-144 
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    Applied crystallography online 5 (1972), S. 147-147 
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    Applied crystallography online 5 (1972), S. 169-177 
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    Notes: Various characteristic lattice defects in silicon have been recorded by some of the main X-ray topographic methods (Bragg and Laue case, scanning- and fixed-crystal techniques, single and double diffraction, hard and soft radiation), with the same specimens used for all methods. The comparison of the results allows some general statements on the qualification (advantages and disadvantages) of each method for detecting and investigating different kinds of lattice defects.
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    Applied crystallography online 5 (1972), S. 177-183 
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    Notes: Si(Li) semictors developed for nuclear spectrometry have achieved energy resolutions of a few hundred eV compared with the keV of the conventional detector for X-ray spectrometry or diffractometry. So far, commercially available equipment incorporating a liquid nitrogen tank is too heavy and cumbersome for existing spectrometers and diffractometers. We have redesigned a Si(Li) probe suitable to replace scintillation or gas proportional counters on any conventional equipment.
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    Applied crystallography online 5 (1972), S. 201-209 
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    Notes: New lattice parameter and density results have been obtained for alloys in the β-NiAl and 6-Ni2Al3 phase fields of the nickel–aluminium system. The lattice parameter of the β-NiAl phase (CsCl-type) falls linearly from 2.8870 Å at 50 at.% Ni to 2.8618 Å at 66. at.% Ni, with 2.00 atoms per unit cell. On the other hand, the lattice parameter on the Al-rich side of NiAl falls linearly from 2.8870 Å to 2.8652 Å, while the number of atoms per unit cell falls from 2.00 to 1.817 by the creation of vacancies in normally nickel sites. The trigonal 6-Ni2Al3 phase-structure, which is essentially an extension of cubic β-NiAl, but with every third plane of nickel atoms perpendicular to the trigonal axis missing, shows a minimum in the a and c spacings at stoichiometric Ni2Al3. Density measurements indicate that the vacancies formed by the missing planes are progressively filled as nickel is added to Ni2Al3, but that a substitutional solid solution is formed on the aluminium-rich side of stoichiometric Ni2Al3 with aluminium replacing nickel atom by atom. In the NiAl phase, the number of valence electrons increases from 2.28 per unit cell at 61.9 at.% Ni to 3.00 at stoichiometric NiAl, and remains constant at 3.00 as the vacancies form until Ni2Al3 is reached, at which stage the number of vacancies will have reached a maximum when there are only 1.67 atoms per pseudo-cubic cell. The number of electrons per pseudo-cubic unit cell then begins to rise and reaches the phase boundary value of 3.12 at 37.6 at.% Ni.
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    Applied crystallography online 5 (1972), S. 234-235 
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    Notes: The Cooley–Tukey fast Fourier algorithm and the factored trigonometric Fourier algorithm are compared for four typical crystallographic problems. With general PL/1 programs the execution speed of the fast Fourier algorithm ranged from 4.7 to 19 times faster than the trigonometric algorithm. In addition the PL/1 fast Fourier program was 1.8 times faster than a space group specific, fixed axial length trigonometric Fourier FORTRAN program. Our results indicate that the fast Fourier is the most efficient algorithm available for crystallographic Fourier series calculations, with efficiency increasing as one goes to larger problems.
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    Applied crystallography online 5 (1972), S. 241-242 
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    Notes: X-ray powder data of Ca3TeO6 are shown not to allow an unambiguous indexing.
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    Applied crystallography online 5 (1972), S. 63-66 
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    Notes: The lattice parameters of single-crystal molybdenum ditelluride have been measured by means of electron diffraction over the temperature range 100 to 470 °K. The following values were obtained for the lattice parameters at 295 °K, a = 3.5139± 0.0004 and c = 13.964± 0.005 Å. A value of 3.5188±0.0056 Å for the a parameter was also determined from the rotational moiré fringe pattern.
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    Applied crystallography online 5 (1972), S. 252-252 
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    Applied crystallography online 5 (1972), S. 253-253 
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    Applied crystallography online 5 (1972), S. 298-299 
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    Notes: Practical details for obtaining an accurate description of the shape of a crystal in a laboratory coordinate system for input to a general absorption program are given. Remarks on practical ways to test an absorption program, together with some comparisons of the accuracy of several widely distributed programs, are made. Comparisons are made with results derived analytically for a contrived crystal which lacks a morphological center of symmetry.
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    Applied crystallography online 5 (1972), S. 302-304 
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    Notes: Theory is developed which allows the quantitative evaluation of an `effective' slit-length weighting function for small-angle diffractometers which make use of Soller slits. The theory is illustrated with an example and the disadvantages connected with the use of Soller slits in SAXS experiments are discussed.
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    Applied crystallography online 7 (1974), S. 399-400 
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    Notes: A new method for the phase control in an optical diffractometer is described. A photographic negative of the weighted reciprocal net is used as the mask of the diffractometer. The phase of each reciprocal point is represented by the shift of the position in the reciprocal plane. Although this method cannot reproduce the periodic image of a crystal, it is particularly suitable for reconstructing the image of a molecule in a crystal.
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    Applied crystallography online 7 (1974), S. 408-408 
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    Applied crystallography online 7 (1974), S. 404-405 
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    Notes: Unit-cell parameters and space groups have been determined on four ammonium polyphosphate salts. (NH4)5P3O10.2H2O is monoclinic with space group P21/n, a = 16.643, b = 6.719, c = 13.843, β = 98.61. (NH4)5P3O10.H2O is monoclinic, space group P2/n or Pn, a = 10.949, b = 10.377, c = 6.426, β = 91.06. (NH4)6P4O13.2H2O is triclinic, a =13.426, b = 11.874, c = 6.524, α = 93.80, β = 84.78, γ = 106.97. (NH4)4 H2P4O13 is orthorhombic, space group P22121, a = 13.359, b = 13.244, c = 8.214.
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    Applied crystallography online 7 (1974), S. 406-406 
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 7 (1974), S. 511-512 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Crystal data for Zn(H2PO4)2. 2H2O and ZnH2P2O7 are given. The two compounds crystallize in the monoclinic system. The monophosphate is isotypic with Cd(H2PO4)2.2H2O.
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 7 (1974), S. 513-513 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Applied crystallography online 7 (1974), S. 515-518 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Unusual SiC polytypic features have been studied by X-ray diffraction and chemical etching to increase understanding of their growth mechanism. The feasibility of periodic slip as a possible mode of growth of SiC polytypes has been examined. It is proposed that island formation on the helicoidal growth surface is responsible for most of the unusual SiC polytypes not explicable purely in terms of a screw-dislocation mechanism.
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 7 (1974), S. 526-531 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: All the information relating to the quantitative composition of a mixture is coded and stored in its X-ray diffraction pattern. It has been the goal of X-ray diffraction analysts since the discovery of X-rays to retrieve and decode this information directly from the X-ray diffraction pattern rather than resort to calibration curves or internal standards. This goal appears to be attained by the application of the `matrix-flushing theory' and the now-proposed `adiabatic principle' in applied X-ray diffraction analysis. The matrix-flushing theory offers a simple intensity-concentration equation free from matrix effects which degenerates to `auto-flushing' for binary systems. The adiabatic principle establishes that the intensity–concentration relationship between each and every pair of components in a multi component system is not perturbed by the presence or absence of other components. A key equation is derived which conducts the decoding process. Both the matrix-flushing theory and the adiabatic principle are experimentally verified.
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    Applied crystallography online 7 (1974), S. 535-540 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: X-ray diffraction topography using transmission geometry has revealed an interesting array of extremely straight and narrow long-line images in sizeable copper single crystals grown under particular growth conditions by the Czochralski technique. These images are analyzed and elucidated by a model of Lomer–Cottrell dislocations. The formation of these sessile dislocations usually aids the growth of large copper crystals of high perfection. The high degree of perfection over the entire volume of the crystals accounts for macroscopic arrangements of Lomer–Cottrell dislocations which have not previously been observed by electron microscopic techniques.
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  • 87
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    Applied crystallography online 7 (1974), S. 547-554 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Investigations of many imperfect single crystals of different materials by means of a γ-diffractometer show that the mosaic structure of large single crystals is often very inhomogeneous: the mosaic distribution function has neither a Gaussian nor a Lorentzian shape and the shapes differ remarkably for different volume elements in the sample. Current extinction theories must be considered with reservation because Darwin's intensity transport equations are solved assuming the scattering length for a given angle of incidence to be constant all over the irradiated crystal volume. This is not true for samples with inhomogeneous mosaic structure.
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  • 88
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 7 (1974), S. 577-585 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Superlattice formation in thin films of copper–gold alloys has been studied by the use of optical-diffraction analogues. Fraunhofer diffraction patterns of arrangements of holes in opaque screens have been compared with electron-diffraction patterns of the alloy films. It has been found possible to draw some general conclusions about the ways in which the antiphase domains fit together to produce certain characteristics of the electron-diffraction patterns. Some ideas are put forward about the growth of superlattices.
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  • 89
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 7 (1974), S. 599-603 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A drum-scanning microdensitometer has been automated with a minicomputer equipped with a magnetic disk memory. Part of the disk is used for temporary data storage, in a manner allowing rapid retrieval. X-ray diffraction photographs from macromolecular crystals can be measured at rates up to about 25 reflections per second, with the flexibility of an `on-line' system. The method can also be used when the computer is time-shared, but with lowered film-processing rates dependent on the number of `simultaneous' (time-sharing) users.
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  • 90
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    Applied crystallography online 7 (1974), S. 555-564 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A profile-fitting algorithm has been applied to the determination of X-ray diffraction intensities from precession photographs. It is assumed that each reflection on the film has the same profile or scaled intensity distribution, over a two-dimensional array of points about its center. The integrated intensity of a reflection is that scale factor which gives the best fit between a scaled model profile and the optical density measurements of the reflection. The systematic error in the calculated intensity was evaluated from the discrepancy between the model and observed profiles and was about 2% for strong reflections (about 1.5 OD units). Profile fitting reduced the likely random error in the intensity, produced by errors in optical density measurements, to half the value given by conventional integration. This gain is especially significant for weak reflections which form the bulk of protein data sets. A comparison between film data processed by this method and diffractometer data for the protein lactate dehydrogenase, (34000 Dalton in asymmetric unit), showed that film data agreed with diffractometer data as well as diffractometer data sets agreed among themselves. Film data for glyceraldehyde-3-phosphate dehydrogenase (144000 Dalton in asymmetric unit) had a reliability index of 6% and significant Bijvoet differences were measured for mercury derivatives of the protein. Methods for the correction for non-linear effects in film data are evaluated for model data. It is shown that these corrections give significant improvement only when the data satisfy two conditions: they extend over a wide range of optical densities (at least 20D units) and they are reliable (better than 4% reliability index). Under these conditions an extended version of the Hamilton, Rollett and Sparks scaling algorithm performs better than the other methods considered.
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  • 91
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    Applied crystallography online 7 (1974), S. 593-598 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The construction and successful operation of a Laue-case skew-symmetric two-crystal X-ray interferometer is described. The alignment is accomplished with an auxiliary X-ray beam, which is multiply reflected by both interferometer parts. As expected, the skew-symmetric two-crystal interferometer is found to be considerably less affected by vibrations than is the symmetric two-crystal interferometer. [Bonse & te Kaat (1968), Z. Phys. 214, 16–21]. The dependence of the crystal lattice moiré pattern on rotations about the Δρ and Δ&thgr; axes are investigated.
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  • 92
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 7 (1974), S. 19-21 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Precession X-ray films were scanned with a rotating-drum microdensitometer. It is necessary to correct for non-linearity between the scanner input and output. Reliability factors for estimating the precision of scanner measurements are compared. The values of the symmetry-averaged reliability factor, Rsym, vary between 3.9 and 12% and depend strongly on the quality of films, while the values of the scanning reproducibility factor, Rrept (3.5–4%), and the film-scaling reliability factor, Rscale (4.5–5.5%), depend more on the quality of scanner software and electronics than on films.
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  • 93
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    Applied crystallography online 7 (1974), S. 1-18 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: This article is the text of a general lecture given at the Ninth International Congress of Crystallography, September 1972, at Kyoto, Japan. The lecture begins with the famous experiment of Kikuchi and continues with results of work carried out under the leadership of Miyake and the author. The main topics in the former part are: anomalous enhancement and splitting of Bragg peaks, appearance of non-Bragg maxima, dynamical multiple refraction, etc. Dynamical theories including inelastic scattering are introduced, and the formation mechanism of Kikuchi bands and absorption effects are explained. Electron diffraction and electron microscopy, which were originally developed as different fields, have been unified after 1950. The development of high-voltage electron microscopy is emphasized. The reason for the enhancement of dynamical effects at very high voltages is explained in terms of relativistic diffraction theory. As an example of some most remarkable dynamical effects, the vanishing of the second-order reflexion is described. Finally, the findings and developments in moiré patterns and lattice images are reviewed briefly. The lecture is devoted to diffraction phenomena themselves and applications to structural studies are excluded.
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    Applied crystallography online 7 (1974), S. 22-24 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: X-ray divergent-beam anomalous-transmission patterns of [111] Gd3Ga5O12 crystal wafers cut from Czochralski-grown boules were obtained with Co radiation. The patterns contained {800} Kα transmission conics which just miss having a triple intersection. The intersection region was analyzed to determine the lattice parameter. The values of lattice parameter for wafers cut from several different boules ranged from 12.3807 to 12.383 Å with an estimated precision of ±0.0004 Å. The method is simple and non-destructive and offers sufficient precision to investigate compositional variations and to evaluate the crystals in terms of lattice parameter matching requirements for epitaxic film deposition.
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    Applied crystallography online 7 (1974), S. 25-36 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Measurements made by small-angle X-ray scattering on Al–Ag alloys aged at various temperatures have shown that the asymptotic Porod's law was obeyed except for a constant term. This additional term represents a Laue monotonic intensity, due mainly to atomic concentration fluctuations inside G.P. zones. The integrated intensity Q0 of the G.P. zones themselves can then be calculated, and the boundaries of the metastable miscibility gap estimated with more precision than previously. Furthermore, the integrated intensities in the first reciprocal-space shell make it possible to discuss the crystallographic structure of the G.P. zones. After quenching from 550 to −80°C, the measured intensities agree with the theoretical values, which implies that small G.P. zones ε′ are disordered. However, for aging above room temperature, there is no agreement between measured and theoretical values. When the aging temperature is increased from 140 to 190°C, an evolution towards a complex structure of G.P. zones is shown.
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    Applied crystallography online 7 (1974), S. 36-38 
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    Topics: Geosciences , Physics
    Notes: Optical-transform methods remain useful aids in determining the structures of polymers, and other disordered materials, from X-ray scattering data. Hitherto a major difficulty has been the preparation of diffracting screens which contain sufficient information to specify adequately the material being studied. The Optronics P-1500 Photowrite system overcomes this difficulty. The equipment is described briefly and two examples of its use in optical transform methods are given.
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 7 (1974), S. 38-41 
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    Topics: Geosciences , Physics
    Notes: Absolute reflectivities, width of rocking curves and effective absorption coefficients for many pyrolytic graphite crystals at different wavelengths were measured. The results can be described within a few percent by the formulae for the ideal mosaic crystal with absorption. Effective absorption is caused by unavoidable parasitic reflections. The measured effective absorption coefficient is the same for different specimens; it does not depend on the mosaic width. By means of this effective absorption, the peak reflectivity decreases with increasing mosaic width.
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 7 (1974), S. 41-44 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A small, colorless, single-crystal with appreciable vapor pressure at room temperature was presumed to be a new oxyfluoride compound of osmium. An X-ray study on a precession camera at a variety of temperatures from 20 to −100°C with many recrystallizations of the material revealed that it was dimorphic. One structure is monoclinic in space group C2/c with a unit cell nearly identical to that reported for OsO4. The second structure is cubic, a = 8.595 Å, Z = 8, space group P\bar 43n, with an extraordinary assortment of systematic absences which yield the most remarkable diffraction patterns the writer has ever encountered. The observations are accounted for by a structure comprising 8 tetrahedral molecules with the anions in cubic close packing at an anion–anion distance of 3.04 Å and with an Os–anion distance of 1.86 Å. The most likely possibilities for the chemical composition appear to be OsO2F2 or OsO3F.
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    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 7 (1974), S. 44-50 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An improved iterative deconvolution procedure is described which involves convolution of an assumed function, which represents the imperfectly known result, with the instrument function and operation on the differences between the convoluted function and the observed data function. Its advantage over the simple Fourier–Stokes treatment lies in improved resolution, its capability to handle functions with discontinuities in the function or in its derivative, and the possibility of using a variable instrument function.
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    Applied crystallography online 7 (1974), S. 50-59 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The ordered structures of Cu–Pt alloys containing 65–78 at. % Pt have been investigated by a combined technique of selected-area electron diffraction and dark-field electron microscopy using thin foils prepared from bulk specimens, and three different types of ordered structure have been observed. Below the order–disorder transformation temperatures, alloys containing less than about 70 at. % Pt have the rhombohedral superlattice of the Cu3Pt5 type and those with more than 70 at. % Pt, the CuPt3-type superlattice with cubic symmetry. At lower temperatures, however, the orthorhombic superlattice is stable in the composition range from about 68 to 75 at. % Pt. On the basis of the present observations, a partial phase diagram around the composition CuPt3 has been determined.
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