An exploration of polymorphism in molecular crystals using high pressure
نویسندگان
چکیده
منابع مشابه
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High Pressure Polymorphism in Silica
Fundamental crystal chemistry and first-principles total-energy calculations are used to examine stable and metastable high-pressure silica structures. We find that a large class of energetically competitive phases can be generated from hcp arrays of oxygen with silicon occupying one-half of the octahedral sites. Calculations for specific structures provide an explanation for a number of recent...
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15 صفحه اولHigh pressure polymorphism of β-TaON.
The high pressure behavior of TaON was studied using a combination of Raman scattering, synchrotron X-ray diffraction, and X-ray absorption spectroscopy in diamond anvil cells to 70 GPa at ambient temperature. A Birch-Murnaghan equation of state fit for baddeleyite structured β-TaON indicates a high bulk modulus value Ko = 328 ± 4 GPa with K = 4.3. EXAFS analysis of the high pressure XAS data p...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2005
ISSN: 0108-7673
DOI: 10.1107/s0108767305099459