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  • 1
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 35 (1979), S. 115-122 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: An attempt has been made to deduce the condition necessary for diffraction enhancement of symmetry to occur in the diffraction pattern of a structure X, and because the symmetry of the diffraction pattern of X coincides with that of its vector set V, the symmetric feature of X derived from the symmetry of V was studied. The symmetry with the point group GV or GV/GI according as X is inversion-symmetric or not, is defined as the vector symmetry of X, where GV is the point group of V and GI, is the inversion group, and when the vector symmetry of X is Cn, for example, X is specified as Cn-vector-symmetric. When X is homometric with itself by a rotation of 2π/n, it is specified as n-fold self-homometric. X being n-fold self-homometric is the necessary and sufficient condition for X to be n-fold vector-symmetric. Also, X exhibits an enhanced vector (diffraction) symmetry if it is a space-groupoid structure with the kernel whose point-group symmetry is, other than by addition of an inversion, higher than the point-group symmetry of X. Four examples of enhanced vector symmetry are examined.
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  • 2
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 52 (1996), S. 266-269 
    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The structure of hexamagnesium sulfonyl tetradecahydroxide, Mg6SO2(OH)14, has been determined with an extremely small single-crystal (ca 0.5 × 100 × 2.5 μm) using synchrotron radiation [1.00 (1) Å]. The crystal is orthorhombic with space group Ccmm (No. 63), a = 15.895 (1), b = 3.105 (1), c = 13.367 (1) Å, V = 659.64 (3) Å3 and Z = 2. The final R and wR values are 0.073 and 0.083 for 105 crystallographically independent reflections. The structure consists of MO6 octahedra and SO4 tetrahedra. The MgO6 octahedra share their edges to form zigzag sheets parallel to (100). The SO4 tetrahedron shares two of the O atoms with the MgO6 octahedra at the turning of the sheet and is statistically located with a probability of 0.5. Fine streaks observed perpendicular to the b* axis on diffraction photographs indicate that the SO4 tetrahedra are distributed at random along the a and c axes, but alternately along the b axis. All the H atoms are considered to exist in the form of OH groups.
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  • 3
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 30 (1997), S. 254-258 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Laue classes of powder diffraction data for tetragonal, hexagonal and cubic crystal families can be derived from interpretation of the concentration of peaks in Patterson functions that are transformed from weighted reciprocal lattices constructed with diffraction data of polycrystalline materials [Ohmasa & Ohsumi (1995). Acta Cryst. A51, 87–91 ]. The method was applied to powder diffraction data of α- and β-quartz, and discrepancies of concentrations of the peaks in both Patterson functions were detected, although the difference of their structures is caused by small shifts of the atomic positions.
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  • 4
    Electronic Resource
    Electronic Resource
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 3 (1996), S. 75-83 
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A new powder diffractometer for synchrotron radiation with six detector arms has been constructed. Five detector arms are attached radially at intervals of 25° to the 2θ axis and form a multiple-detector system. Five scintillation counters coupled with flat Ge(111) crystal analyzers on the respective arms can simultaneously record the whole powder pattern divided into five segments, each with an equal 2θ span. The optics design is based on flat-specimen reflection geometry using a parallel beam. The intensity data are collected using a 2θ step-scan technique in asymmetric diffraction at a fixed incident angle. A sixth multi-purpose detector arm can be used in the conventional single-arm scan mode. It can be equipped with various kinds of analyzers such as long horizontal parallel slits, a fiat or channel-cut crystal analyzer, a receiving slit and a solid-state detector. Test operations of the multiple-detector system, conducted at the Photon Factory in Tsukuba, recorded a full width at half maximum of 0.022° and a peak maximum intensity of more than 40000 counts s−1 for the (111) reflection from Si powder. The whole powder pattern of Mg2SiO4 over a 2θ range of 130° could be step-scanned at a step interval of 0.004° (2θ) in just 4 h. Results of whole-powder-pattern decomposition and Rietveld refinement of the Mg2SiO4 pattern are given.
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  • 5
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 17 (1984), S. 219-225 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The present paper describes a newly built four-circle diffractometer for X-ray structure analysis with synchrotron radiation and particularly with the use of anomalous scattering due to a relatively heavy atom or atoms. This system is installed on beamline 10A in the Photon Factory (PF) in the National Laboratory for High Energy Physics, and its 2θ arm is rotated in the plane perpendicular to the floor. In this system, a one-crystal monochromator of the horizontal dispersion type is used. When the 111 reflection from a Si monochromator is used, the energy resolution is about 14 eV for X-rays of about 10 keV. The four-circle diffractometer, a monochromator and an alignment carriage for the four-circle diffractometer can be controlled by a computer and, therefore, once the optical system has been adjusted for X-rays of a certain wavelength then the diffraction intensity values from a single-crystal sample can be automatically measured at any wavelength chosen. An NaI(Tl) scintillation counter is used for both the intensity measurements of the diffraction beam and the monitoring of the incident-beam intensity. In order to make the counting rate high, 50 MHz counters are used for the above two intensity measurements. In this set-up, about 1% counting loss occurs at a counting rate of 55000 s−1. With this diffractometer, diffraction intensities have been measured for a hemimorphite single-crystal at two energy values on both sides of the Zn K absorption edge. The variation of the intensities, after being normalized by the standard reflection and the monitor counts, was somewhat large in comparison with the data measured in the usual laboratory. From these data measured at two energy values, a so-called two-wavelength anomalous-scattering difference Patterson function was calculated, where the Zn–Zn vector peaks were twice as high as in an ordinary Patterson.
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  • 6
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 24 (1991), S. 340-348 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A system has been developed for the analysis of the structure of a submicrometer-sized single-crystal using synchrotron radiation (SR) at the Photon Factory (PF), KEK. The Laue method combined with an imaging plate was employed for the collection of diffracted intensities. To reduce background, the experiment was carried out in a vacuum and with a very thinly collimated incident X-ray beam. The system has been shown to reach a level where a molybdenum sphere with diameter as small as 0.8 μm was found to be twinned and the volume ratio of the twin domains was determined, together with an isotropic temperature factor, which was comparable with the value determined in the same experiment on another single-crystal sphere of almost the same size. It was in good agreement with that determined by a powder diffraction study. The present study showed that any single-crystal detectable under an optical microscope can be analysed and, further, that the diffraction intensities from a crystal with volume of 0.02 μm3, which is composed of 109 atoms, can be detected.
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  • 7
    Electronic Resource
    Electronic Resource
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 2 (1995), S. 143-147 
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Long horizontal parallel slits with angular apertures of 0.032 and 0.065° were constructed for powder diffraction experiments with synchrotron radiation. They have been tested at the BL-4B experimental station at the Photon Factory by using a monochromated beam with a wavelength of 1.528 Å. The horizontal parallel slits with the smaller aperture gave a full-width at half-maximum of 0.030 (1)° for the (200) reflection from CeO2 and an intensity about one order of magnitude higher than that obtained with a receiving slit in the same angular resolution, demonstrating the finest horizontal parallel slits developed so far. The misalignment of the horizontal parallel slits does not affect the intensity whilst it shifts the Bragg-peak positions systematically.
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  • 8
    Electronic Resource
    Electronic Resource
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 4 (1997), S. 60-63 
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A hard X-ray microbeam with zone-plate optics has been tested at the MR-BW-TL beamline on the Tristan main ring of the KEK, and preliminary experiments on scanning microscopy have also been performed. A sputtered-sliced Fresnel zone plate with an Au core and Ag/C multilayer is used as an X-ray focusing device. The outermost zone width of the zone plate is 0.25 μm. A focused spot size of ̃0.5 μm has been achieved at an X-ray energy of 8.54 keV. In a scanning X-ray microscopy experiment, test patterns with submicrometer fine structure have been clearly resolved.
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  • 9
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 51 (1995), S. 87-91 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: It has long been believed that superposition of Debye–Scherrer lines caused by symmetry of the reciprocal lattice should suppress true information on Laue symmetry of crystal systems with high symmetry: trigonal, tetragonal, hexagonal and cubic. An interpretation of intensities at superposed reciprocal-lattice points reveals that Laue classes of polycrystalline materials can be identified from concentrations of vectors in vector space, that is, from distributions of Patterson peaks. Determination of Laue class enables us to make structural studies of polycrystalline materials with the same process used in single-crystal studies.
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