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  • 1
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 321-324 (Jan. 2000), p. 791-795 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physica C: Superconductivity and its applications 185-189 (1991), S. 2501-2502 
    ISSN: 0921-4534
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
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  • 3
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physica C: Superconductivity and its applications 209 (1993), S. 415-420 
    ISSN: 0921-4534
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 67 (1996), S. 840-842 
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: A new diamond-anvil cell for single-crystal x-ray diffraction structural studies is presented. By including a simple mechanism for adjusting the parallelism of the opposing diamond culets, the stability of the gasket is maintained to higher pressures than was achieved in earlier cells of a similar two-platen design. Equipped with 600 μm culet diamond anvils, the cell has been tested to a pressure of 25 GPa and has been used successfully for equation-of-state measurements and crystal structure determinations to 10 GPa. © 1996 American Institute of Physics.
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  • 5
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 30 (1997), S. 461-466 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The unit-cell parameters of quartz, SiO2, have been determined by single-crystal diffraction at 22 pressures to a maximum pressure of 8.9 GPa (at room temperature) with an average precision of 1 part in 9000. Pressure was determined by the measurement of the unit-cell volume of CaF2 fluorite included in the diamond-anvil pressure cell. The variation of quartz unit-cell parameters with pressure is described by: a −4.91300 (11) = −0.0468 (2) P + 0.00256 (7) P2 − 0.000094 (6) P3, c − 5.40482 (17) = − 0.03851 (2) P + 0.00305 (7) P2 − 0.000121 (6) P3, where P is in GPa and the cell parameters are in ångstroms. The volume–pressure data of quartz are described by a Birch–Murnaghan third-order equation of state with parameters V0 = 112.981 (2) å3, KT0 = 37.12 (9) GPa and K′ = 5.99 (4). Refinement of K′′ in a fourth-order equation of state yielded a value not significantly different from the value implied by the third-order equation. The use of oriented quartz single crystals is proposed as an improved internal pressure standard for high-pressure single-crystal diffraction experiments in diamond-anvil cells. A measurement precision of 1 part in 10 000 in the volume of quartz leads to a precision in pressure measurement of 0.009 GPa at 9 GPa.
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  • 6
    Electronic Resource
    Electronic Resource
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 46 (1990), S. 541-543 
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Physics and chemistry of minerals 25 (1998), S. 183-192 
    ISSN: 1432-2021
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract  The compression of synthetic braunite, Mn2+Mn3+ 6O8SiO4, was studied by high-pressure single-crystal X-ray diffraction carried out in a diamond-anvil cell. The equation of state at room temperature (third-order Birch-Murnaghan equation of state: V 0=1661.15(8) Å3, K 0,298=180.7±0.9 GPa, K′=6.5±0.3) was determined from unit-cell volume data to 9.18 GPa. Crystal structures were determined at 6 different pressures to 7.69 GPa. Compression of the structure (space group I41/acd) was found to be slightly anisotropic (a 0=9.4262(4) Å, K a =499±4 GPa, K a ′=19.7±0.9; c 0=18.6964(6) Å, K c =657±6 GPa, K c ′=15.7±1.4) which can be attributed to the fact that the Mn3+-O bonds, which are the most compressible bonds, are aligned closer to the (001) plane than to the c axis. The large bulk modulus is the result of the structural topology in which 2/3 and 1/2 of the edges of the Mn2+O8 and Mn3+O6 polyhedra share edges with other polyhedra. The Mn2+O8 polyhedra were found to compress isotropically, whereas anisotropic compressional behaviour was observed for all three Mn3+O6 octahedra. Although the polyhedral geometry of all three crystallographically independent Mn3+ sites shows the same type of uniaxially elongated distortion, the compression of the individual octahedral configurations was found to be strongly dependent upon both the geometry of the polyhedron itself and the types of, and the connectivity to, the neighbouring polyhedra. The differences in the configuration of the different oxygen atoms, and therefore the structural topology, is one of the major factors determining the type and degree of the pressure-induced distortion, while the Jahn-Teller effect plays a subordinate role.
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Physics and chemistry of minerals 24 (1997), S. 411-422 
    ISSN: 1432-2021
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract  The presence of zeolitic water, with a reversible hydration behaviour, was determined by structural and kinetic studies on synthetic mixite BiCu6(OH)6(AsO4)3·nH2O (n≤3). X-ray diffraction and infrared-spectroscopic investigations were performed on single crystals. Isothermal thermogravimetric experiments were carried out to determine the reaction kinetics of the de- and rehydration processes. The single-crystal structure refinement of a fully hydrated crystal yielded five partially occupied Ow positions (Ow=oxygen atom of a H2O molecule) within the tube-like channels of the hexagonal [BiCu6(OH)6(AsO4)3] framework. For the partially dehydrated form, with n≈1, at least two of these sites were found to be occupied significantly. In addition, the structural investigations allowed two different intra-framework hydrogen bonds to be distinguished that are independent of the extra-framework water distribution and are responsible for the stability of the self-supporting framework. The kinetic analysis of the rate data in the 298–343K temperature range shows that the dehydration behaviour obeys a diffusion-controlled reaction mechanism with an empirical activation energy of E a dehyd=54±4 kJ mol–1. A two-stage process controls rehydration of which the individual steps were attributed to an initial surface-controlled (E a hyd-I=6±1 kJ mol–1) and subsequent diffusion-controlled reaction mechanism (E a hyd-II=12±1 kJ mol–1). The estimated hydration enthalpy of 42±5 kJ mol–1 supports the distribution model of molecular water within the channels based on a purely hydrogen-bonded network.
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Physics and chemistry of minerals 26 (1998), S. 100-106 
    ISSN: 1432-2021
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract  Single crystals of the garnet Mn2+ 3Mn3+ 2[SiO4]3 and coesite were synthesised from MnO2-SiO2 oxide mixtures at 1000°C and 9 GPa in a multianvil press. The crystal structure of the garnet [space group Ia3¯d, a=11.801(2) Å] was refined at room temperature and 100 K from single-crystal X-ray data to R1=2.36% and R1=2.71%, respectively. In contrast to tetragonal Ca3Mn3+ 2[GeO4]3 (space group I41/a), the high-pressure garnet is cubic and does not display an ordered Jahn-Teller distortion of octahedral Mn3+. A disordered Jahn-Teller distortion either dynamic or static is evidenced by unusual high anisotropic displacement parameters. The room temperature structure is characterised by following bond lengths: Si-O=1.636(4) Å (tetrahedron), Mn3+-O=1.995 (4) Å (octahedron), Mn2+-O=2.280(5) and 2.409(4) Å (dodecahedron). The cubic structure was preserved upon cooling to 100 K [a=11.788(2) Å] and upon compressing up to 11.8 GPa in a diamond-anvil cell. Pressure variation of the unit cell parameter expressed by a third-order Birch-Murnaghan equation of state led to a bulk modulus K 0=151.6(8) GPa and its pressure derivatives K′=6.38(19). The peak positions of the Raman spectrum recorded for Mn2+ 3Mn3+ 2[SiO4]3 were assigned based on a calderite Mn2+ 3Fe3+ 2[SiO4]3 model extrapolated from andradite and grossular literature data.
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  • 10
    ISSN: 1432-2021
    Keywords: Key words Chromous silicate ; High-pressure ; Crystal chemistry ; Chromium dimer ; Metal-metal bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract The high-pressure behaviour of chromous orthosilicate, Cr2SiO4, has been studied by means of single-crystal X-ray diffraction and electronic absorption spectroscopy. X-ray diffraction data show that the structure remains orthorhombic to the highest pressure reached of 9.22 GPa. The compressibility of the unit-cell is strongly anisotropic with the c axis approximately six times more compressible than the a and b axes. A third-order Birch-Murnaghan equation of state fitted to the volume-pressure data yields V 0 = 610.10(3) Å3, K = 94.7(4) GPa, K′ = 8.32(14). Cr2SiO4 is therefore more compressible than the isostructural Cd analogue, even though its molar volume is smaller. This unusual behaviour can be attributed to the fact that the Cr atom is too small for the six-coordinated site that it occupies, and the site is therefore strongly distorted. Structure refinements indicate that under high pressures the Cr atom remains strongly displaced from the central position of the octahedron. Polarized and unpolarized electronic absorption spectra include a strong absorption band occuring at 18.300 cm−1 for E//c (which is parallel to the shortest Cr-Cr vector in the structure) which has an unusually large half width (5000 cm−1), indicative of electronic interaction between metal centres. Deconvolution of unpolarized high-pressure spectra show that the relative integrated intensity of this component increases linearly from 40% at 1 bar to 60% at 11.2 GPa. Both the structural changes and the absorption spectra at high pressures suggest that pairs of adjacent Cr atoms in chromous orthosilicate form chromium dimers with a weak metal-metal bond, which is consistent with the diamagnetic response found at ambient pressure.
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