Startseite Isosymmetric structural phase transition of orthoenstatite: Molecular dynamics simulation
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Isosymmetric structural phase transition of orthoenstatite: Molecular dynamics simulation

  • Akira Miyake EMAIL logo , Norimasa Shimobayashi und Masao Kitamura
Veröffentlicht/Copyright: 28. März 2015
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American Mineralogist
Aus der Zeitschrift American Mineralogist Band 89 Heft 11-12

Abstract

An isosymmetric phase transition from orthoenstatite to a new high-temperature orthorhombic phase of enstatite was observed at about 1230 K in molecular dynamics (MD) simulations for the Mg end-member composition, Mg2Si2O6. This new phase has the same space group as orthoenstatite, Pbca. The discontinuous changes of the cell volume and cell parameters during the transition indicate a first-order transition. The transition is characterized by the switching of bonds between Mg atoms at the M2 sites and the coordinated O3 atoms. This new phase corresponds to the high-temperature state of enstatite observed in the in situ high-temperature X-ray studies and probably to orthopyroxene appearing in the phase diagram of the quadrilateral pyroxenes, indicating the possibility of its existence as a stable phase at high temperature.

Received: 2003-9-26
Accepted: 2004-4-2
Published Online: 2015-3-28
Published in Print: 2004-11-1

© 2015 by Walter de Gruyter Berlin/Boston

Artikel in diesem Heft

  1. First-principle study of polytype structures of 1:1 dioctahedral phyllosilicates
  2. Calorimetry of liquids in the system Na2O-Fe2O3-SiO2
  3. A Mössbauer study of the oxidation state of Fe in silicate melts
  4. Nanometer-scale measurements of Fe3+/ΣFe by electron energy-loss spectroscopy: A cautionary note
  5. The most reduced rock from the moon, Apollo 14 basalt 14053: Its unique features and their origin
  6. Quantitative analysis of ammonium in biotite using infrared spectroscopy
  7. Lizardite-chlorite structural relationships and an inferred high-pressure lizardite polytype
  8. V oxidation state and coordination number in silicate glasses by XAS
  9. Structure of the fluorapatite (100)-water interface by high-resolution X-ray reflectivity
  10. Origin of diffuse superstructure reflections in labuntsovite-group minerals
  11. Isosymmetric structural phase transition of orthoenstatite: Molecular dynamics simulation
  12. Crystal nucleation in hydrous rhyolite: Experimental data applied to classical theory
  13. Investigation of polytypes in lepidolite using electron back-scattered diffraction
  14. Iron partitioning between basaltic melts and clinopyroxene as a function of oxygen fugacity
  15. The synthesis of zeolite-P, Linde Type A, and hydroxysodalite zeolites from paper sludge ash at low temperature (80 °C): Optimal ash-leaching condition for zeolite synthesis
  16. High-pressure viscometry of polymerized silicate melts and limitations of the Eyring equation
  17. Biological control on calcite crystallization: AFM investigation of coccolith polysaccharide function
  18. Order parameter variation through the C2/m-P21/m phase transition in cummingtonite
  19. Arsenate sorption on schwertmannite
  20. Evidence on the structure of synthetic schwertmannite
  21. Crystal-chemical characterization of tourmalines from the English Lake District: Electron-microprobe analyses and Mössbauer spectroscopy
  22. Crystal chemistry and paragenesis of compositionally unique (Al-, Fe-, Nb-, and Zr-rich) titanite from Afrikanda, Russia
  23. Site distribution of Fe2+and Fe3+in the axinite mineral group: New crystal-chemical formula
  24. Epidote-rich talc-kyanite-phengite eclogites, Sulu terrane, eastern China: P-T-fO₂estimates and the significance of the epidote-talc assemblage in eclogite
  25. Quantitative mineralogy of the Yukon River system: Changes with reach and season, and determining sediment provenance
  26. Exsolution of thortveitite, yttrialite, and xenotime during low-temperature recrystallization of zircon from New Caledonia, and their significance for trace element incorporation in zircon
  27. Mineralogical characterization and genesis of hydrothermal Mn oxides from the flank of the Juan the Fuca Ridge
  28. Synchrotron X-ray diffraction study of the structure of shafranovskite, K2Na3(Mn,Fe,Na)4[Si9(O,OH)27](OH)2⋅nH2O, a rare manganese phyllosilicate from the Kola peninsula, Russia
  29. Letter. Coupled cation and oxygen-isotope exchange between alkali feldspar and aqueous chloride solution
https://doi.org/10.2138/am-2004-11-1211

Artikel in diesem Heft

  1. First-principle study of polytype structures of 1:1 dioctahedral phyllosilicates
  2. Calorimetry of liquids in the system Na2O-Fe2O3-SiO2
  3. A Mössbauer study of the oxidation state of Fe in silicate melts
  4. Nanometer-scale measurements of Fe3+/ΣFe by electron energy-loss spectroscopy: A cautionary note
  5. The most reduced rock from the moon, Apollo 14 basalt 14053: Its unique features and their origin
  6. Quantitative analysis of ammonium in biotite using infrared spectroscopy
  7. Lizardite-chlorite structural relationships and an inferred high-pressure lizardite polytype
  8. V oxidation state and coordination number in silicate glasses by XAS
  9. Structure of the fluorapatite (100)-water interface by high-resolution X-ray reflectivity
  10. Origin of diffuse superstructure reflections in labuntsovite-group minerals
  11. Isosymmetric structural phase transition of orthoenstatite: Molecular dynamics simulation
  12. Crystal nucleation in hydrous rhyolite: Experimental data applied to classical theory
  13. Investigation of polytypes in lepidolite using electron back-scattered diffraction
  14. Iron partitioning between basaltic melts and clinopyroxene as a function of oxygen fugacity
  15. The synthesis of zeolite-P, Linde Type A, and hydroxysodalite zeolites from paper sludge ash at low temperature (80 °C): Optimal ash-leaching condition for zeolite synthesis
  16. High-pressure viscometry of polymerized silicate melts and limitations of the Eyring equation
  17. Biological control on calcite crystallization: AFM investigation of coccolith polysaccharide function
  18. Order parameter variation through the C2/m-P21/m phase transition in cummingtonite
  19. Arsenate sorption on schwertmannite
  20. Evidence on the structure of synthetic schwertmannite
  21. Crystal-chemical characterization of tourmalines from the English Lake District: Electron-microprobe analyses and Mössbauer spectroscopy
  22. Crystal chemistry and paragenesis of compositionally unique (Al-, Fe-, Nb-, and Zr-rich) titanite from Afrikanda, Russia
  23. Site distribution of Fe2+and Fe3+in the axinite mineral group: New crystal-chemical formula
  24. Epidote-rich talc-kyanite-phengite eclogites, Sulu terrane, eastern China: P-T-fO₂estimates and the significance of the epidote-talc assemblage in eclogite
  25. Quantitative mineralogy of the Yukon River system: Changes with reach and season, and determining sediment provenance
  26. Exsolution of thortveitite, yttrialite, and xenotime during low-temperature recrystallization of zircon from New Caledonia, and their significance for trace element incorporation in zircon
  27. Mineralogical characterization and genesis of hydrothermal Mn oxides from the flank of the Juan the Fuca Ridge
  28. Synchrotron X-ray diffraction study of the structure of shafranovskite, K2Na3(Mn,Fe,Na)4[Si9(O,OH)27](OH)2⋅nH2O, a rare manganese phyllosilicate from the Kola peninsula, Russia
  29. Letter. Coupled cation and oxygen-isotope exchange between alkali feldspar and aqueous chloride solution
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