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Physics and chemistry of minerals Journal

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In situ x-ray data on molar volumes of periclase and tungsten have been collected over the temperature range from 300 K to melting. We determine the temperature by combining the technique of spectroradiometry and electrical resistance wire heating. The thermal expansion (α) of pe...
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The effect of (Mg,Fe) substitution on the compression and pressure-induced amorphization of olivines has been investigated up to more than 50 GPa in a diamond anvil cell through energy-dispersive X-ray diffraction experiments with synchrotron radiation. For the four (Mg1−x, Fe x ...
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The use of approximate molecular orbital (MO) calculations [particularly complete neglect of differential overlap (CNDO)] as a tool in understanding chemical bonding in silicates is investigated. This requires first a detailed analysis of the parametrization employed by the CNDO ...
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Collection of variously colored gem quality iron-bearing beryl from two Brazilian deposits, Lavra do Abilio (Minas Gerais) and Garimpo do Cercadinho (Bahia) was studied by polarized optical absorption microspectroscopy and microprobe analysis. The main attention was paid to spati...
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In a previous paper, we showed a technique that simplifies Kieffer’s lattice vibrational method by representing the vibrational density of states with multiple Einstein frequencies. Here, we show that this technique can be applied to construct a thermodynamic database that accura...
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Dislocations either grown-in or produced by plastic deformation have been studied in transmission electron microscopy (TEM) in two crystals with the perovskite structure, namely BaTiO3 (P4mm at room temperature) and CaTiO3 (Pcmn). Two distinct deformation processes have been used...
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We have obtained high quality Raman spectra for two H/D isotopically substituted hydrous aluminosilicate glasses with compositions along the NaAlSi3O8-SiO2 join. Consistent with the results of previous studies, the isotope shift for the band near 900 cm−1, whose intensity grows w...
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The cation distribution in the partly inversed binary spinel is usually treated in terms of octahedral site preference energies. Such a model is based on the assumption of ideal cation mixing in each position. The present version of theory includes explicitly the interaction betw...
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Infrared absorption spectra (400–4000 cm−1) were measured on dehydrated and partially dehydrated powder of the zeolite harmotome Ba2[(AlO2)4(SiO2)12]·12H2O. Whereas the disappearance of the bending mode at ∼1640 cm−1 proved the absence of water molecules after dehydration, the O-...
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The high temperature volume and axial parameters for six C2/c clinopyroxenes along the NaAlSi2O6–NaFe3+Si2O6 and NaAlSi2O6–CaFe2+Si2O6 joins were determined from room T up to 800°C, using integrated diffraction profiles from in situ high temperature single crystal data collection...
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This study examines the links between 31P solidstate NMR studies of aluminum phosphate minerals and their crystallographic structures. We found that 31P isotropic chemical shift values, diso, carry little information about mineral structures. There seems to be no relation between...
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Diamond (∼1 μm) and graphite (1–10 μm) in NaCl were melted at 50 to 300 kbar in a diamond anvil cell using a pulsed YAG laser. The samples were removed from the cell and the structures of the quenched phases were studied by transmission electron microscopy.
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H. Schneider, U. Hornemann
Shock-recovery experiments have been carried out on andalusite single crystals of gem quality in a pressure range from 300 up to 575 kbar. Infrared spectroscopic investigations indicate a progressive shock-induced transformation of andalusite into short-range-ordered Al2O3 and Si...
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The structure, structural disorder and chemistry of miserite from the charoite-bearing rocks of the Murun massif (Russia) and from alkaline-syenite pegmatitic rocks of the Dara-i-Pioz massif (Tajikistan) were investigated employing a combination of electron microprobe, single cry...
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29 Si nuclear magnetic resonance (NMR) spectroscopy was used to characterize the silica phases in a moderately-shocked Coconino sandstone from Meteor Crater, Arizona. The spectra were recorded using direct polarization, magic-angle spinning, and variable delay times in a saturati...
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O. Moze,T. J. Hicks, A. C. McLaren
Neutron polarization analysis has been used for the quantitative determination of hydrogen in a crystal of synthetic quartz. The observed weighted average value of 1860±950 H/106Si is in good agreement with the value determined from infrared absorption.
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The compression behavior of natural adamite [Zn2AsO4OH] has been investigated up to 11.07 GPa at room temperature utilizing in situ angle-dispersive X-ray diffraction and a diamond anvil cell. No phase transition has been observed within the pressure range investigated. A third-o...
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We present full multiple-scattering calculations at the aluminium K edge that we compare with experiments for four crystalline silicates and oxide minerals. In the different minerals aluminium atoms are either fourfold or sixfold coordinated to oxygen atoms in Al sites that are p...
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The effect of anisotropy and particle shape has been analysed in the infrared powder spectra of α-quartz and α-cristobalite by using theTheory of theAverage Dielectric Constant. Information is obtained regarding the applicability of the theory to these compounds of low polarizabi...
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A single crystal of natrolite, Na2Al2Si3O10.2H(2)O (space group Fdd2), was studied by X-ray diffraction methods at room temperature. The intensities were measured in a complete sphere of reflection up to sin Theta/ lambda 1=0.903 Angstrom(-1). A refinement of high-order diffracti...
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