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  • Artikel  (2.299)
  • International Union of Crystallography (IUCr)
  • 2010-2014
  • 1980-1984  (2.299)
  • 1982  (1.295)
  • 1981  (1.004)
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  • Artikel  (2.299)
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  • 2010-2014
  • 1980-1984  (2.299)
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  • 1
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 43-50 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A device is described which uses liquid nitrogen to generate a cold or hot gas stream which is blown directly onto the crystal mounted on an X-ray diffractometer. With a specially constructed high-vacuum (〈 1.3 × 10–5 Pa) jacketed silica Dewar tube, it can operate between 83 and 1120 K with a stability over long time periods of ± ¼ K below and ± 1 K above ambient temperature. In the latter case the short-time stability is ± ¼ K for hours. It gives an inert atmosphere at elevated temperatures and allows extensive data collection for the accurate determination of crystal structures. The evaporator, the automatic refilling system and the silica Dewar tube are described.
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  • 2
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 60-61 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A fitting method is proposed for X-ray diffraction profiles which requires only a small number of parameters.
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  • 3
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 61-62 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Complete solid solution is observed amongst the compounds of the type M1MgCr2(VO4)3 (where M1 = K, Rb or Tl). The solid-solution series obtained show linear changes in peak positions and peak intensities in their X-ray diffraction patterns. The crystallographic behaviour with respect to the value of x for (RbxK1−xMgCr2(VO4)3 and (TlxK1−x)MgCr2(VO4)3 solid solutions is discussed.
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  • 4
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 64-65 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Indexed powder patterns of the monoclinic phase, stable at room temperature, and of the orthorhombic phase, stable for T 〉 786 K, are given. The cell dimensions are: a = 15.737 (8), b = 9.231 (5), c = 18.224 (9) Å, β = 125.46 (2)° at 295 K; a = 9.330 (3), b = 12.868 (5), c = 9.242 (3) Å at 818.6 K. Linear equations describing the thermal expansion of the two phases of ferric molybdate are reported. To verify if ferric molybdate can incorporate excess MoO3, measurements on non-stoichiometric samples were also made: no evidence of the presence of excess MoO3 was found.
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  • 5
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 68-68 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: High-temperature As2O5 at 768 ± 5 K is tetragonal with a = 8.577 (1), c = 4.637 (1) Å, V = 341.2 Å3, Z = 4, Dc = 4.475 Mg m−3. Indexed powder data are given.
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  • 6
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 151-153 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A computer program has been written with the aim of calculating the domain of an atom in a structure. The domain may be limited by planes situated half-way between the atoms, or at a distance that takes into account the relative radii of the atoms. Data concerning this domain and the corresponding coordination polyhedron are computed and printed. Punched cards, to be used in a special plotting program, can also be produced. Three types of weighted coordination number are calculated.
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  • 7
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 219-222 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A method for the computation of the effect of rough sample surfaces on diffraction intensities is described. Though the model used for the calculation is a special simple one, it is exact. The method is illustrated by its application to a surface whose boundary is a saw-tooth. Possible generalizations of the character of the surface roughness effect and how it depends on the dimensions of the surface irregularities are inferred from the calculation.
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  • 8
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 256-260 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A new X-ray film, produced by CEAVERKEN in Sweden, has recently become available. Some properties of this film have been compared to three other films commonly used in the recording of X-ray diffraction intensities (Agfa T4, Kodak No-screen, Ilford Industrial G). The linearity of CEA film has been found to be similar to that for Agfa and Ilford. The speed of the new film is about 10% lower than Agfa or Kodak, and the film factor was measured to be 2.9 for Cu Kα radiation. The background level is significantly lower than on the other three films investigated. This combination of properties makes CEA film suitable for routine collection of X-ray diffraction data.
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  • 9
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 349-350 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Lutetium pyrosilicate single crystals Lu2Si2O7 were grown by a floating-zone technique associated with an arc image furnace. The compound is monoclinic, space group C2/m, Z = 2, a = 6.7665 (14), b = 8.8407 (18), c = 4.7195 (27) Å and β = 101.95 (3)°. Indexed X-ray powder data at 294 K are given.
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  • 10
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 353-354 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 11
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 392-400 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Two-dimensional antiphase domain structures existing in the composition range 20–23 at.% Mn were investigated by a high-resolution structure-imaging technique with a 1 MV electron microscope. The structures are based on the DO22 structure and consist of parallelogram-shaped domains containing 4 × 3 columns of Mn atoms and lozenge-shaped domains with 4 × 4 and 3 × 3 columns, and the domains are separated by two-dimensional antiphase boundaries parallel to the ({\bar 2}40) and (240) planes of the fundamental face-centred structure. The configuration of the domains changes delicately with a slight change of composition or annealing temperature, and the symmetry of the structure is lowered below about 670 K. The ideal structure models have compositions of about 22.7 at.% Mn. The images of about half of the specimen area of the 22.6 at.% Mn alloy annealed at 570 K do not correspond to these new structures, but bear a resemblance to the image expected from the two-dimensional antiphase structure proposed by Watanabe [J. Phys. Soc. Jpn (1960), 15, 1030–1040] for Au3Mn, which is based on the L12 structure and has boundaries parallel to the (100) and (010) planes.
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  • 12
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 1-2 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The L-F phase transition of malononitrile, CH2(CN)2, has been characterized by powder X-ray diffraction analysis. The powder data of L and F phases are given. Crystallographic results are consistent with spectroscopic and calorimetric ones which indicate that this transition is of first order and corresponds to a reconstructive mechanism.
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  • 13
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 100-101 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The lattice parameter of cubic PtHg4 at 298 K is 6.2001 Å and it is accurate to better than 1 part in 10000.
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  • 14
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 129-132 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A Fortran V computer program for obtaining the atomic coordinates of a single molecule from its chemical formula is presented. The program has been tested in a UNIVAC 1100 computer. The program assigns a Cartesian system to each skeletal bond and assigns each atom to its proper Cartesian system. The program lists the various types of bonds of each atom and, given the torsion angles, computes the conformation of the whole molecule. Torsion angle and atom numbering is automated by the program. Cyclic structures can also be represented. At present molecules containing hydrogen, carbon, oxygen, phosphorus, nitrogen, sulfur, silicon and halogen atoms can be represented.
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  • 15
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 77-78 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 16
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 309-314 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A model, belonging to the class of cell models previously introduced, is developed to calculate the small-angle X-ray scattering of random multiphase systems. This model, which is applied to supported metal catalysts, involves two cell sizes, one for the support and one for the metal. Interphase surface areas and the correlation function, related to the X-ray scattering intensity by a Fourier transform, are given in terms of these two parameters. By fitting the measured intensity I(h) to that predicted by the model, values for the metal and support surface areas are obtained.
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  • 17
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 326-328 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A single-stage closed-cycle helium cryorefrigerator has been installed on a conventional four-circle neutron diffractometer. The cold head together with a specially designed support and alignment unit are sufficiently compact to enable it to be mounted directly onto the φ rotation table within the χ circle in place of the normal goniometer head used for room-temperature experiments. The device has a temperature range of 50 to 300 K, is extremely simple to use, and has a low operation cost as no cryogenic liquids are consumed. There are additional restrictions on the diffractometer angles but, with care, it is possible to measure at least half the reciprocal sphere.
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  • 18
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 467-468 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A program is described to allow the dynamic graphic manipulation of molecules on a Tektronix 4054 graphics system. The program is useful for structure examination during X-ray crystal structure solution and for visualizing the results of structure determinations.
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  • 19
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 15-19 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The forward scattering of cold neutrons in small-angle scattering experiments on macromolecules dissolved in mixtures of light and heavy water is predominantly determined by the large incoherent cross section of the hydrogen atoms leading to an isotropic background level. The probability per unit solid angle for forward scattering by samples rich in H2O is approximately equal to the fraction of the primary beam which has not been transmitted through the sample, divided by the full solid angle 4π. When using the camera D11 at the high flux reactor in Grenoble [Ibel (1976). J. Appl. Cryst. 9, 296–309] this simple relation is fulfilled within ±5% by a 1 mm thick sample of H2O at 281.8 K using neutrons of 1.0 nm wavelength. In D2O, the coherent cross section is of the same order as the incoherent one, and about one half of all those neutrons which had been removed from the primary beam are scattered into large angles. Our experimental results and the derived graphs allow us to determine the effective forward scattering per unit solid angle for any volume fraction of D2O in H2O/D2O mixtures around room temperature by a simple and accurate transmission experiment in conjunction with the measurement of the scattering of one single sample of H2O of 1 mm thickness, for neutrons of wavelengths from 0.45 to 1.0 nm.
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  • 20
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 55-59 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: By using data from the Wallace & Ward [J. Appl. Cryst. (1975), 8, 255–260] cylindrical texture camera integrated with other traditional X-ray powder film techniques for very low and very high diffraction angles, a new high-temperature modification of CeO2 was identified and indexed resulting in a trigonal or hexagonal unit cell with a = 8.36(2) and c = 10.42(2) Å, (axial ratio 1.264) and Z = 16. The new phase is an oxidation product of CeO2-doped hot-pressed silicon nitride. It can be quenched to room temperature under appropriate conditions. Its stability on reheating is strictly related to its interaction with the silicate phase.
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  • 21
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 60-64 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Multiple electron scattering between weak beams has been used as the basis for a simple method to determine the absolute polarity of some non-centrosymmetric crystals. For crystals with the sphalerite structure many orientations have been found in which small departures from centrosymmetry produce large effects on the convergent-beam diffraction patterns (microdiffraction). The effects are reasonably independent of thickness and so can be analyzed qualitatively without the use of computers.
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  • 22
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 79-81 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A procedure for refining a crystal orientation matrix for the flat-cone diffractometer is discussed. The positions of the centers of gravity of refections obtained during routine data collection are transformed in such a way that they can be used as input to the least-squares procedures of Busing & Levy [Acta Cryst. (1967), 22, 457–464] or Shoemaker & Bassi [Acta Cryst. (1970), A26, 97–101]. The orientation matrix can be refined on the basis of the positions of all observed reflections, and not only of a selected sample, thus increasing its reliability. The procedure is particularly suited for protein crystallographic studies, as it makes it possible to compensate for crystal movements encountered during data collection.
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  • 23
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 98-99 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Attention is drawn to the influence of high quantal flux on the resolving capability of the scintillation detector.
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  • 24
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 99-100 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Attenuator factors are functionally dependent on X-ray flux when dead time is ignored. The combination of this effect with counting losses downgrades diffracted intensity progressively with increasing intensity and is therefore liable to be confused with the effect of extinction. It can have a significant influence on the accuracy of the resultant structure factors. Estimation and elimination of this error source is straightforward.
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  • 25
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 106-107 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The title compound, C3H4N2S, crystallizes in the orthorhombic system, space group Pbca. The cell constants are determined from a single crystal: a = 9,62 ± 0,02, b = 5,90 ± 0,01 and c = 15,59 ± 0,03 Å. X-ray powder diffraction data are given.
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  • 26
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 107-111 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A series of samples in the system Al2S3–In2S3 in the In-rich region have been synthesized and studied by X-ray diffraction. At the lowest values of the Al/In (molar) ratio, r, the existing phase, β, is isostructural with the room-temperature, ordered, tetragonal phase of In2S3. As the Al content increases a progressive disorder of cations takes place. For r≳l/10 this disorder is completed and β is replaced with a phase, denoted as α, which is isostructural with the first high-temperature, cubic, phase of In2S3. The unit-cell parameters of the ternary β and α alloys, (AlxIn1 − x)2S3, decrease linearly as the Al content increases. From r≳1/3 to r ̃2/3 there is a two-phase region, α + γ1. The hexagonal phase γ1 is isostructural with AlInS3, appearing at r = 1, and with the second high-temperature, γ, modification of In2Se3. The phase γ1 also exists in the systems Ga2Se3–In2Se3 and Al2Se3–In2Se3 in the In-rich region for the (Ga, Al)/In (molar) ratio greater than ̃1/50.
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  • 27
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 577-578 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 28
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 579-579 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
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  • 29
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 579-580 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
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  • 30
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 581-589 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The mathematical functions necessary for Rietveld refinement of time-of-flight neutron powder diffraction patterns from spallation sources are developed and a computer program for least-squares analysis is described. The results of Rietveld refinements of nickel and a low-carbon steel are described and discussed. The method fully exploits the high resolution (Δd/d ̃0.3 ̃0.5%) available with powder diffractometers currently in operation on these sources and examples are given of precise determination of atom coordinates, thermal parameters, lattice parameters and the detection of small strains.
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  • 31
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 639-639 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 32
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 640-676 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 33
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 250-250 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 34
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 255-259 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The identification of twofold axes is straightforward if the cell is based on three of the shortest lattice translations. The distribution of twofold axes in space fixes the lattice symmetry and most conventional cell edges. A program based on this approach has been written. It works for the seven cases with minimum branching of the algorithm.
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  • 35
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 266-274 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The commonest natural diamonds (classification type Ia) contain platelet defects on {100}, usually with mean diameters in the 20 to 100 nm range, which generate disorder diffuse X-ray reflections in the form of (100) spikes through reciprocal-lattice points. Corresponding spikes in electron diffraction patterns of diamonds, recorded with 100 and 120 kV electrons, have been investigated. It has been established that (100) spikes appear most strongly in electron diffraction patterns of diamonds very rich in platelets, and are absent in the case of platelet-free diamonds (types IIa and IIb). Spikes from diamonds containing relatively large platelets are sharper than those from diamonds containing very small platelets. Multiple scattering of electrons prevents measurement of the dependence of spike intensity upon diffraction order as can be done in the X-ray case. Some experiments with spike electron reflections have been performed that are impossible in the X-ray case. It has been shown that when the crystal volume sampled by the electron beam contains only one platelet, then the spike distribution reduces to a pattern containing only spikes normal to the platelet concerned. Also, dark-field weak-beam microscopy has been applied, by selecting one spike only in the diffraction pattern, to identify orientations of small platelets through the imaging of only those platelets normal to the spike selected.
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  • 36
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 301-307 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The amplitude and phase of a wave scattered by an adsorbed layer can be deduced from the modifications of the Bragg peak of the powder by adsorption. The treatment of experimental data involves the interpretation of a function of the extra intensity detected and has the advantages of an integrated intensity method. Powders containing crystallites limited by several types of faces can be studied. The Co3O4 sample studied is limited only by (110) and (111) faces of respective areas 11 and 27 m2 g−1. The (111) planes terminating crystallites contain oxygen covering a layer of cobalt in octahedral sites. Other possible terminating layers are ruled out for (111) planes. The structures of the bidimensional layers of argon on (110) and (111) planes are determined.
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  • 37
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 315-322 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A correction for the unavoidable truncation of line profiles and an improved correction for the inherent curvature of the variance–range function are discussed. An analytical procedure for making the corrections is proposed and applied to theoretical and practical small-crystallite line profiles. An alternative procedure for obtaining the integrated intensity, and hence the integral breadth, and the variance (Fourier) apparent size is also presented.
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  • 38
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 289-300 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: As a consequence of several technological developments, the speed and sensitivity of solution X-ray (and neutron) scattering studies have recently risen by factors which may be as large as 105; formal problems – like assessing the information content of the data and retrieving that information in structural terms – have thus become of immediate practical interest. The general problem of the information content of scattering experiments is discussed; its mathematical expression is derived, which depends on both the experimental data (observed values and estimated accuracy) and the a priori stochastic assumptions on the structure of the sample. The practical application of these notions to solution scattering studies involves several steps, three of which – choice of the degrees of freedom, data reduction and error analysis – are dealt with in this work. The first step is to specify the minimal number of independent parameters necessary and sufficient to describe the whole of the scattering properties of the system. Whenever the solute particles are of finite dimensions the entire scattering curve is defined by its values at a one-dimensional lattice; if, moreover, the asymptotic trend of the scattering curves is known, then the degrees of freedom are the ideal intensities at a finite number of points plus a small number of parameters describing the asymptotic trend. It is also possible to include among the degrees of freedom a few subsidiary parameters like the normalization factors. The next step is, starting from a composite set of data, to determine the most probable numerical value of each degree of freedom and to evaluate its range of uncertainty. This is discussed within the framework of variable-contrast studies, assuming that the invariant-volume hypothesis is fulfilled. An algorithm is formulated which treats all the experimental observations and determines simultaneously all the degrees of freedom and the error matrix. The algorithm also allows one to introduce additional linear constraints on the degrees of freedom. As an example, the algorithm is applied to solution X-ray scattering data recorded with a low-density serum lipoprotein. The determination of the maximal chord of the particle – an important parameter in the informational analysis – turns out to be rather tricky.
    Materialart: Digitale Medien
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  • 39
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 378-381 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The anomalous production of X-rays which occurs when an electron beam is incident on a thin crystal under certain crystallographic directions has been used to study the site occupancy in a chromite from the Stillwater Complex, Montana with approximate composition (Cr0.37Fe0.23Al0.23Mg0.17)3O4. Cr and Al are found to have a strong octahedral and Mg a strong tetrahedral site preference. About 3/4 of the Fe atoms are on tetrahedral sites. Small amounts of Ti and V atoms, about 1/1000 of the total atomic content, are both found to occupy the octahedral sites.
    Materialart: Digitale Medien
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  • 40
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 388-390 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The effects of uncertainties in intensity measurements (noise levels) and energy space (energy resolution) in EXAFS spectroscopy are presented and discussed. It is shown that poor energy resolution and high noise levels distort EXAFS information in such a way that phase and amplitude transferabilities are lost.
    Materialart: Digitale Medien
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  • 41
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 396-398 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The pyramidally faceted etch topography of the (000{\bar 1}) face of ZnO in 1 mol dm−3 HCl solution is discussed. It is shown that the topography can be regarded as a case of surface reconstruction to minimize surface free energy, with dissolution proceeding at the surface asperities.
    Materialart: Digitale Medien
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  • 42
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 402-405 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The quality of powder specimens in diffraction experiments is very important. Any preferred orientation in the specimen under study affects the observed integrated intensities of the powder peaks and makes them unreliable; thus, results obtained from these intensities hardly appear to be trustworthy. The existing methods of powder preparation were considered to be unsuitable for samples such as isotopic methanes, nitrogen, oxygen, hydrogen, etc. which are gaseous at room temperature and have relatively low melting points. Therefore, a new method was developed for producing fine-grained powder specimens of solidified gases without preferred orientation directly from the gas phase using a specially designed liquid-helium cryostat which allowed visual inspection of the formation of powder in the specimen container. Subsequent neutron diffraction tests proved that the powder specimens prepared by this method were free of preferred orientations.
    Materialart: Digitale Medien
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  • 43
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 412-416 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A high-temperature ( ̃1070 K) tensile stage operating under controlled atmosphere convenient for X-ray synchrotron topography is described. Early results of in situ measurements of dislocation velocities in silicon and an observation of dislocations expanding from the tip of a crack under controlled loading conditions are briefly reported.
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  • 44
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 423-429 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Long-range, elastic strains emanating from stress raisers, such as holes and inclusions, were investigated in bent silicon crystals which functioned as a model material. The strains and strain interactions were characterized by X-ray Pendellösung fringe topography and were quantitatively evaluated by X-ray intensity measurements of transverse-oscillation topographs. Improvement of strain measurements were obtained by considering the contribution of anomalous transmission to the intensity measurements and by deposition of an appropriate metal film on the developed topograph to heighten the fluorescence of the silver grains in the emulsion. The strain gradient emanating from a bent specimen containing a hole was experimentally determined and the results were compared to calculations based on continuum mechanics having closed-form solution. Good agreement between experiment and theory was obtained. The dependence of strain interaction on interflaw distance was experimentally demonstrated for specimens containing two holes.
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  • 45
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 430-438 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Reflection profile functions used or suggested for use in Rietveld refinements with fixed-angle or fixed-wavelength powder diffraction data, obtained with neutrons or with X-rays, are reviewed briefly. The fixed-wavelength X-ray case is considered in detail. In tests of fitting to individual resolved reflection profiles, at least eight different profile functions, including some representations consisting of "learned' differentiable number arrays, have been show to be satisfactory at the less than 3% misfit level. Several authors have made comparative studies of subsets of the six analytic functions, Gaussian (G), Lorentzian (L), modified Lorentzian (ML), intermediate Lorentzian (IL), pseudo-Voigt (p-V), and Pearson VII (PVII). In this work, the performance of all six, in Rietveld refinements with data sets from seven different specimens with differing degrees of broadening, have been intercompared on the basis of difference plots, Rwp, and RB. The Gaussian function was consistently the worst performer, while the pseudo-Voigt and Pearson VII were the best. For this reason, for reasons of simplicity, and for convenient though crude physical interpretation of the Lorentz-fraction parameter, the pseudo-Voigt is identified as the function of choice among these six. It is emphasized that a need still exists for a better profile function soundly based on physical reality.
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  • 46
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 449-451 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The optimization of the quantitative X-ray diffraction analysis given by Szabó [J. Appl. Cryst. (1980), 13, 479–485] is improved in two respects. An easier use of the method for the analyst, a further saving of measuring time and a reduction of the computer running time are achieved.
    Materialart: Digitale Medien
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  • 47
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 462-463 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The X-ray study of tetramethylammonium trichlorocuprate(II) trichloromanganate(II), (CH3)4N.Mn1 − xCuxCl3 for copper concentrations ranging up to 50% shows that the manganese salt structure is preserved. Lattice parameters for some x values are given.
    Materialart: Digitale Medien
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  • 48
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 464-467 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A computer program was constructed for the derivation of symmetry operations from the space-group symbols: the program uses the origins of International Tables for X-ray Crystallography [Vol. I (1962). Birmingham: Kynoch Press], or the origins of the symbol, or arbitrary origins fixed by the user. The number of statements is 292, program size in core is 10591 16-bit words. The program is written in Fortran IV.
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  • 49
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 469-469 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 50
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 470-470 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 51
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 471-475 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The structure of the β-alumina mirror plane is investigated with a powder diffraction technique in several crystals: Ag β, dehydrated Na β and hydrated Na β. At 295 and 423 K, an Ag+ distribution is found which agrees with that reported in the literature. With increasing temperature from 423 to 879 K, the Ag+ fraction in the aBR (anti-Beevers–Ross) sites decreases from 0.34 to 0.15. Hydration of Na β-alumina crystals does not seem to cause an appreciable change in the Na+ distribution. Analysis of the reflection intensities gives the exact quantity of absorbed water.
    Materialart: Digitale Medien
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  • 52
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 488-492 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A new crystalline phase of silver thiocyanate, AgSCN, has been prepared in the presence of gelatin. X-ray powder diffraction data were indexed for an orthorhombic cell with a = 4.083 (1), b = 7.043 (1), c = 11.219 (2) Å, Z = 4. The crystal structure was solved and refined in Pmnn to RF = 0.11 from 54 peak-height powder intensities. Strongly bonded, approximately linear AgNCS units [Ag–N = 2.00(5) Å] are joined together into a three-dimensional polymeric network by three long Ag–S bonds [2.70(2), 2 × 2.64(1) Å]. The configurations at both Ag and S are intermediate between tetrahedral and trigonal pyramidal.
    Materialart: Digitale Medien
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  • 53
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 509-512 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The aim of this paper is to describe a technique for recording the intensity distribution along definite crystallographic directions by using a classical θ,2θ powder goniometer. This method was developed for application to highly oriented powders. In the calculation of simulated spectra, the partial misorientation of the particles is considered. The reflection intensities and profiles are compared for different shapes of the misorientation function N(α).
    Materialart: Digitale Medien
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  • 54
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 513-523 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Several new techniques have been developed for multi-phase identification using X-ray powder diffractometry. Among these are (1) automatic correction for common systematic errors, (2) probability-based scoring, (3) window-less searching and matching, and (4) additive phase isolation. These new approaches to old problems are appropriate for implementation on a minicomputer and a program has been written which incorporates them. Results obtained from this work have demonstrated success in solving identification problems under a wide variety of circumstances, many of which were previously considered very difficult for computer algorithms. This paper is the first of two intended to describe the new algorithms and their implementation in the program, SANDMAN.
    Materialart: Digitale Medien
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  • 55
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 540-541 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Second-harmonic generator tests for non-centrosymmetry have been applied to five monoclinic potassium feldspars. Four samples yielded null results; one specimen displayed a positive test for non-centrosymmetry.
    Materialart: Digitale Medien
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  • 56
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 579-579 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 57
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 580-580 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 58
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 594-601 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Dislocation-free silicon crystals of ({\bar 2 \bar 1 \bar 1}) orientation with a hyperbolic notch, subjected to tensile deformation at 1073 K, were used as model material for the analysis of the induced plastic zone. The results obtained by X-ray topography and X-ray rocking-curve measurements were compared to theoretical calculations and predictions based on continuum mechanics. Good agreement between experiment and theory was obtained regarding the shape of the plastic zone, the contribution of the active slip systems to the size of the plastic zone and the direction of the maximum plastic strain trajectory in the zone. Discrepancies between experiment and theory regarding the symmetry relation of the plastic zone lobes and the dislocation density near the notch tip were attributed to the interactions and resulting work-hardening. These aspects were not taken into account in calculations of continuum mechanics.
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  • 59
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 605-610 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: In two previous papers, algorithms designed for searching, matching and identifying phases in qualitative X-ray powder analysis were reported [Schreiner, Surdukowski & Jenkins (1982). J. Appl. Cryst. 15, 513–523, 524–530]. This paper extends the searching technique to unknowns containing isotypical phases and solid solutions. Methods are described for distinguishing among isotypical compounds in qualitative analyses, and for permitting the retrieval of phases in a data base that differ from measured patterns by a uniform Δd/d scale factor.
    Materialart: Digitale Medien
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  • 60
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 615-620 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Neutron powder diffractometers operating with large vertical counter acceptance angles produce diffraction patterns in which the peaks are shifted and broadened, and may become distinctly asymmetric. It is shown that a sum of Gaussians generally provides a good approximation to these peaks. The sum of Gaussians has been included as an optional description of the profile within an existing profile refinement program. In this application, the sum incorporates a single asymmetry parameter which can be estimated from the diffractometer geometry or determined in the refinement. It is recommended that, in describing asymmetric peaks, the sum of Gaussians be used in place of the simple Gaussian multiplied by Rietveld's semi-empirical asymmetry factor.
    Materialart: Digitale Medien
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  • 61
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 621-625 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Two distinct X-ray diffraction studies of 2̃ mol dm−3 ZnSO4 solutions were carried out in order to assess the possibility of studying the state of the sulfate ion in water and to verify whether and how structural information depends on possible differences in experimental data. It is shown that the X-ray diffraction method is unable to provide results capable of unambiguous modelling of the SO2−4 coordination; even the complete omission of sulfate-water interactions does not lead to unsatisfactory synthetic structure functions. This conclusion does not seem to be affected by differences in the experimental data; however, some characteristics of the `best' models can be affected by differences in experimental data that are within the limits of experimental uncertainties.
    Materialart: Digitale Medien
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  • 62
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 76-76 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 63
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 216-217 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 64
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 218-218 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 65
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 300-304 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A description is given of a mathematical formalism which allows the study of diffraction by stacks which contain, simultaneously or not, (i) layers of different kinds, (ii) different translations or rotations between layers and (iii) different thicknesses. The formalism allows the calculation of intensities for all the hkl reflections or (h,k) reciprocal rods, and not just the 00l reflections. It accounts for an Sth-neighbour interaction (S≥1).
    Materialart: Digitale Medien
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  • 66
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 315-320 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The results of a trial powder diffraction experiment on the ADONE storage ring at the Frascati National Laboratories (Italy) are described. A (220) channel-cut Si crystal was used to provide a monochromatic beam and it was demonstrated that Debye–Scherrer photographs could be obtained in several hours. It was also shown that very high resolution can be obtained simply by increasing the camera dimensions. Finally, it is shown that with the higher fluxes of the SRS at the Daresbury Laboratory (England) very fast exposures will be possible without the need for focusing.
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  • 67
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 329-336 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Satellite spots appear around every fundamental spot in electron diffraction patterns of iron-carbon martensite (α′) tempered in a temperature range from 273 to 363 K. High-resolution electron microscopic observations show that they are due to the formation of a modulated structure, in which interstitial carbon atom clusters smaller than 10 Å are distributed randomly in a plane nearly parallel to (102)α′, with inter-cluster distance of 10–20 Å and such carbon-rich planar regions are spaced periodically with intervals of 10–20 Å, depending on the carbon content of the martensite. A structure analysis was made by measuring the satellite spot intensity of the electron diffraction patterns, and the displacements of atoms from their average positions in martensite were determined. The result supports the above cluster model for the modulated structure.
    Materialart: Digitale Medien
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  • 68
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 348-349 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: MSbO4, (M = Cr, Fe) are tetragonal, rutile-type compounds, P42/mnm (No. 136); Z = 1. M and Sb are randomly distributed in 2(a) positions and O in 4(f). For CrSbO4, Dm = 5.31, Dx = 5.35 Mg m−1, a = 4.5899 (2), c = 3.0525 (2) Å, U = 64.307 (8) Å3, x = 0.318, R = 4.6; Cr and Sb are coordinated with two O atoms at 2.064 and four O atoms at 1.930 Å.
    Materialart: Digitale Medien
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  • 69
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 352-353 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 70
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 354-354 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 71
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 355-356 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 72
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 383-386 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A method of deconvolution using the modulus of the continuous Fourier transform of the unit cell is described. This method differs from previous deconvolution methods in membrane diffraction in that calculations are carried out in reciprocal space. The modulus profile is obtained from the continuous intensity transform which is itself the Fourier transform of the autocorrelation function. Sampling theorem methods are used to reconstruct the continuous Fourier transform of the unit cell. The various phase choices are examined and compared. In membrane diffraction, the autocorrelation function is derived in two distinct situations: when the interference function is broad as in the case of a few unit cells and when the membrane systems contain wide regions of constant electron density. It is concluded that, in the first situation, the derived autocorrelation function contains missing information and is incorrect. On the other hand, in the second situation, the derived autocorrelation function is a good representation of the true autocorrelation function.
    Materialart: Digitale Medien
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  • 73
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 401-416 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The measurements and calculations of the charge, spin and momentum density of the metallic elements Ti to Ni are examined. Both the Compton profiles (momentum density) and X-ray scattering factors (charge density) are shown to provide a direct determination of the cohesive energy. It generally appears that the 3d spin density is contracted relative to the free atom while the 3d charge density builds up at the Wigner–Seitz cell boundary relative to the free atom particularly near the bottom of the band. No theoretical calculation is available which evaluates charge, spin and momentum density as well as cohesive energy. In addition, a significant disparity between theory and experiment exists for the momentum and charge density anisotropies in the b.c.c. metals. Suggested areas for further work are given.
    Materialart: Digitale Medien
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  • 74
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 421-431 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The `microparacrystallite size' and `distortion parameter' of delignified ramie, hemp and jute have been determined – with the assumption that these materials are paracrystalline in nature – with the second and fourth central moments of X-ray diffraction line profiles. A new method of curvature correction has been developed. Background as well as non-additivity corrections have also been accounted for. Theories of determining the `microparacrystallite size' and the `distortion parameter' from single reflections independently from each of these two central moments have been developed, and described. Determination of these two parameters for several directions in the samples studied have been based on the above work. It has been shown that, in conformity with the recent findings of Hosemann & Balta Calleja [Ber. Bunsenges. Phys. Chem. (1980), 84, 91], the larger the paracrystalline distortion the smaller is the `microparacrystallite size'.
    Materialart: Digitale Medien
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  • 75
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 439-443 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Polar coordinates of a Kendrew model of α-chymotrypsin (α-CHT) have been measured with a surveyor's transit and a cathetometer to a high degree of accuracy and precision. Bond distances calculated independently for more than 200 independent amino-acid residues have standard deviations of 0.10 Å or less, the torsion angle ω has a standard error of 7°, and the τ angle is precise to 3°. The measured coordinates of about 1800 non-hydrogen atoms of one molecule of the α-CHT dimer fit a set of idealized polypeptide coordinates with a r.m.s. deviation of 0.17 Å, while the average deviation is 0.15 Å.
    Materialart: Digitale Medien
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  • 76
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 451-454 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A calculation method for the X-ray profiles from small, needle-like crystallites [Yücel, Rautureau, Tchoubar & Tchoubar (1980). J. Appl. Cryst. 13, 370–374] is applied to natural Eskisehir sepiolite mineral. By analysing the hk0 reflections, quantitative results are given on the average cross-sectional dimensions, their distribution, preferred directions of growth, lattice parameters, hydration state, and imperfections. Practical methods for the determination of the zeolitic water content and the importance of boundary effects are proposed.
    Materialart: Digitale Medien
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  • 77
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 464-464 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The powder data for anhydrous theophylline (1,3-dimethylxanthine), C7H8N4O2, are reported. It is orthorhombic, Pna21, with a = 24.628 (4), b = 3.833 (2), c = 8.501 (5) Å; U = 802.49 Å3; Z = 4; Dm = 1.478, Dc = 1.489 Mg m−3.
    Materialart: Digitale Medien
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  • 78
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 468-469 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The powder data for the title compounds are reported. They are monoclinic, Bb or B2/b, with, for 3C12H8N2.2H2SO4.2H2O, a = 20.87 (1), b = 14.581 (9), c = 11.458 (7) Å, γ = 108.32 (6)°, Z = 4, Dm = 1.58, Dc = 1.55 Mg m−3, and, for C12H8N2.2H2SO4, a = 17.39 (3), b = 15.38 (4), c = 6.85 (1) Å, γ = 124.9 (1)°, Z = 4.
    Materialart: Digitale Medien
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  • 79
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 475-477 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Single crystals of [Cu(bpy)2NO2]ClO4, [Cu(C10H8N2)2NO2]ClO4, C20H16CuN5O2.ClO4, with space group P21/c, were grown from the reacting mixture of bis(2,2′-bipyridyl)copper(I) perchlorate with molecular oxygen in nitroalkanes. The unit-cell parameters are a = 10.83 (2), b = 12.51 (1), c = 17.04 (1) Å, β = 112.0 (2)°, Z = 4, Dm = 1.62 (1) Mg m−3.
    Materialart: Digitale Medien
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  • 80
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 14 (1981), S. 472-473 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: Indexed powder patterns of four monoclinic compounds of general formula (BH)3H3V10O28 .xH2O, where x = 1-2.5 and B = 2,4-dimethylpyridine (J8), (C7H10N)3H3V10O28.1.0H2O, 3,4-dimethylpyridine (J10), (C7H10N)3H3V10O28.1.0H2O, 3,5-dimethylpyridine (J11), (C7H10N)3H3V10O28.2.5H2O, and 2,4,6-trimethylpyridine (J12), (C8H12N)3H3V10O28.1.0H2O are given. The cell dimensions of the unit cells with two molecules are: J8 a = 18.360 (2), b = 10.438 (2), c = 13.503 (2) Å, β = 95.99 (1)°; J10 a = 12.538 (3), b = 13.634 (5), c = 16.662 (5) Å, β = 111.82 (2)°; J11 a = 19.483 (5), b = 10.711 (2), c = 13.020 (4) Å, β = 101.52 (2)°; J12 a = 12.776 (3), b = 22.470 (4), c = 11.790 (3) Å, β = 91.54 (1)°.
    Materialart: Digitale Medien
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  • 81
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 206-210 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: X-ray diffraction data obtained by scattering Mo Kα radiation from Fe4.7Co70.3Si15B10 in an as-received and an annealed state are analysed to show that the average number of nearest neighbours in the alloy is 12.5±0.4 atoms, in both states. The alloy does not appear to contain clusters and the effect of the annealing process used is to reduce density fluctuations by a factor of about 0.7.
    Materialart: Digitale Medien
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  • 82
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 227-231 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A new crystal cooling device for protein data collection with a rotation camera at temperatures between 323 and 100 K is described. It includes a flow cell for solvent exchange at low temperatures. The crystal is mounted in a double chamber with thin Mylar walls. The temperature is controlled to better than 0.5 K by N2 or He gas flowing through the inner chamber. Since cooling is isotropic, temperature gradients near the sample are avoided. Dry gas circulating through the outer chamber prevents the windows from icing. The system has been routinely used for synchrotron radiation data collection at the instrument X ll at DORIS. The scope of applications in low-temperature protein crystallography with synchrotron radiation is discussed.
    Materialart: Digitale Medien
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  • 83
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 236-240 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A vacuum heating camera has been developed for extremely low background X-ray film work between room temperature and 2000 K. It can be used with modified conventional Weissenberg goniometers and with a specially designed focusing goniometer. The temperature control is maintained by a Pt/Pt–10% Rh thermocouple, a three-term proportional, integral and derivative (PID) controller and a programmable power supply. The accuracy in the absolute temperature setting is 10 K, the stability better than 1 K and the maximum thermal gradient over the crystal 7 K mm−1 at 1330 K. A small oxygen pressure can be applied, depending on the temperature, to control oxidation or reduction reactions of the sample.
    Materialart: Digitale Medien
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  • 84
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 248-249 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 85
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 249-250 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 86
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 250-250 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 87
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 260-265 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: The channeling effect in electron-induced X-ray emission has proved useful as a method to get immediate information about the cation atom distribution between octahedral and tetrahedral positions in the recently synthesized spinels: ZnCr0.4Fe1.6O4, ZnCrFeO4 and ZnCr1.6Fe0.4O4. It is concluded that the Zn atoms are in tetrahedral positions and the Cr atoms in octahedral positions. The Fe atoms also have a strong octahedral site preference, but the analysis indicates that 5̃% of them are in tetrahedral positions.
    Materialart: Digitale Medien
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  • 88
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 275-278 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: A method for obtaining the absolute lattice parameters of layered structures to an accuracy of a few units in 106 is described. A second motorized axis, for a reference crystal, is mounted onto a commercially available single-axis goniometer, so that double-crystal rocking curves can be combined with single-crystal lattice parameter measurements. The rocking curves and lattice parameter measurements are obtained from the same high-angle Bragg reflection, which results in this high degree of accuracy.
    Materialart: Digitale Medien
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  • 89
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 282-288 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: High-resolution structure images of the 23.5 and 24 at.% Mn alloys annealed at 573 K were studied by 1 MV electron microscopy. It was shown that the 24 at.% Mn alloy consists of two-dimensional antiphase structure (2d-APS) of Au3Mn with the boundaries parallel to the (100) and (010) planes. The average domain sizes were measured as M1 = 1.04 and M2 = 2.41, and an orthorhombic structure model with M1 = 1 and M2 = 2.5 was proposed for the ideal structure of the 2d-Au3Mn. From the 23.5 at.% Mn alloy, the structures corresponding to the intermediate state between the 2d-Au3Mn and the 2d-APS(I), which consists of lozenge- and parallelogram-shaped domains and exists in the alloys with 21–23 at.% Mn, were observed. It was concluded that the statistical order of appearance of the stable ordered phases with increasing Mn content in the composition range of 20–24 at.% Mn is Au4Mn → Au22Mn6 → Au31Mn9 → 2d-APS(I) → 2d-Au3Mn (so called Watanabe structure).
    Materialart: Digitale Medien
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  • 90
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 37 (1981), S. 2194-2197 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 91
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 37 (1981), S. 2197-2205 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 92
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 93
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 37 (1981), S. 1-8 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 94
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 37 (1981), S. 8-11 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 95
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 37 (1981), S. 11-15 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 96
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 37 (1981), S. 15-19 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 97
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 37 (1981), S. 23-26 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 98
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 37 (1981), S. 19-23 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 99
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 38 (1982), S. 1330-1332 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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  • 100
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 38 (1982), S. 1332-1334 
    ISSN: 1600-5740
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
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