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New high-pressure phase relations in CaSnO3

  • Taku Tsuchiya EMAIL logo and Jun Tsuchiya
Published/Copyright: March 31, 2015
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American Mineralogist
From the journal American Mineralogist Volume 91 Issue 11-12

Abstract

High-pressure phase stabilities of the CaSnO3 system were investigated using density functional theory static lattice energy calculations. We have identified six phase changes in this system: perovskitepost-perovskite, post-perovskite-B2+cotunnite in CaSiO3, B1-B2 in CaO, cassiterite-pyrite, pyriteorthorhombic-I, and orthorhombic-I-cotunnite in SnO2. Our results demonstrate a new high-pressure phase sequence of perovskite → post-perovskite → B2 + cotunnite. The post-perovskite transformation occurs at ~12 GPa with ~2.5% volume reduction and then it decomposes into the oxide mixture of B2 CaO and cotunnite SnO2 at ~70 GPa with 8.1% volume reduction. The results also predict a few percent bulk velocity variations across these phase changes.

Keywords : CaSnO3; perovskite; post-perovskite; density functional calculation
Received: 2006-1-29
Accepted: 2006-6-26
Published Online: 2015-3-31
Published in Print: 2006-11-1

© 2015 by Walter de Gruyter Berlin/Boston

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  26. Matioliite, the Mg-analog of burangaite, from Gentil mine, Mendes Pimentel, Minas Gerais, Brazil, and other occurrences
  27. Letter. Crystallographic alignments in a coccolith (Pleurochrysis carterae) revealed by electron back-scattered diffraction (EBSD)
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https://doi.org/10.2138/am.2006.2221
Keywords for this article
CaSnO3; perovskite; post-perovskite; density functional calculation

Articles in the same Issue

  1. Presidential Address to the Mineralogical Society of America, Salt Lake City, October 18, 2005: Mineral surfaces and the prebiotic selection and organization of biomolecules
  2. A rare garnet-tourmaline-sillimanite-biotite-ilmenite-quartz assemblage from the granulite-facies region of south-central Massachusetts
  3. Effects of natural radiation damage on back-scattered electron images of single crystals of minerals
  4. Thermal diffusivity of olivine-group minerals at high temperature
  5. Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100)
  6. AXANES study of Cu speciation in high-temperature brines using synthetic fluid inclusions
  7. A new approach to determine and quantify structural units in silicate glasses using micro-reflectance Fourier-Transform infrared spectroscopy
  8. Titanium incorporation and VITi3+ -IVTi4+ charge transfer in synthetic diopside
  9. Hugoniot and impact-induced phase transition of magnesite
  10. Finite element modeling of elastic volume changes in fluid inclusions: Comparison with experiment
  11. Thermodynamics of mixing in pyrope-grossular, Mg3Al2Si3O12-Ca3Al2Si3O12, solid solution from lattice dynamics calculations and Monte Carlo simulations
  12. Does antigorite really contain 4- and 8-membered rings of tetrahedra?
  13. New insight into crystal chemistry of topaz: A multi-methodological study
  14. Tetrahedrally coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies
  15. Recovery of stishovite-structure at ambient conditions out of shock-generated amorphous silica
  16. New experimental data on biotite + magnetite + sanidine saturated phonolitic melts and application to the estimation of magmatic water fugacity
  17. Structural effects of pressure on triclinic chlorite: A single-crystal study
  18. New high-pressure phase relations in CaSnO3
  19. A high-pressure Raman spectroscopic study of hafnon, HfSiO4
  20. Single-crystal elasticity of brucite, Mg(OH)2, to 15 GPa by Brillouin scattering
  21. The effect of composition on Cr2+/Cr3+ in silicate melts
  22. Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analog of hedyphane: Description and crystal structure
  23. Synthesis of novel lead–molybdenum and lead–tungsten oxyhalides with the pinalite structure, Pb3MoO5Cl2 and Pb3WO5Br2
  24. Depolymerization effect of water in aluminosilicate glasses: Direct evidence from 1H-27Al heteronuclear correlation NMR
  25. Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical, structural, and vibrational spectroscopy data
  26. Matioliite, the Mg-analog of burangaite, from Gentil mine, Mendes Pimentel, Minas Gerais, Brazil, and other occurrences
  27. Letter. Crystallographic alignments in a coccolith (Pleurochrysis carterae) revealed by electron back-scattered diffraction (EBSD)
  28. Letter. High-pressure study of FeS, between 20 and 120 GPa, using synchrotron X-ray powder diffraction
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