Ab initio structure of MgSiO3 ilmenite at high pressure

American Mineralogist

Volumn 85, Issue 2, 2000, Pages 317-320

  Karki, B B ^a   Duan, W ^a   Da Silva, C R S ^a   Wentzcovitch, R M ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ILMENITE; LATTICE CONSTANTS; MOLECULAR DYNAMICS; PEROVSKITE; SILICON; SILICON COMPOUNDS; SINGLE CRYSTALS;

AB INITIO STRUCTURE; ANISOTROPIC BEHAVIORS; DEGREE OF DISTORTION; HIGH PRESSURE; INTERNAL PARAMETERS; PEROVSKITE STRUCTURES; POWDER X RAY DIFFRACTION; ZERO PRESSURE;

MAGNESIUM COMPOUNDS;

CRYSTAL STRUCTURE; HIGH PRESSURE; ILMENITE;

EID: 0034072406     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am-2000-2-309     Document Type: Article

References (18)

1. Ceperely, D. and Alder, B. (1980) Ground state of the electron gas by a stochastic method. Physical Review Letters, 45, 566-569.
2. 2-stishovite assemblage. Physics and Chemistry of Minerals, 21, 285-293.
3. 3, ilmenite at high pressure, Geophysics Research Letters, 26, 943-946.
4. Horiuchi, H., Horano, M., Ito, E., and Matsui, Y. (1982) MgSiO3, (ilmenite-type): single crystal X-ray diffraction study. American Mineralogist, 67, 788-793.
5. 3; single crystal X-ray diffraction study. American Mineralogist, 72, 357-360.
6. 3, ilmenite: calorimetry, phase equilibria, and decomposition at atmospheric pressure. American Mineralogist, 70, 1020-1026.
7. 4 and some geophysical implications. Journal of Geophysical Research. 94, 10637-10646.
8. Ito, E. and Yamada, H. (1982) Stability relations of silicate spinels, ilmenites, and perovskites. In: S. Akimoto and M. H. Manghnani (Editors), High-Pressure Research in Geophysics, D. Reidel, Dordrecht, 405-419.
9. 3 polymorphs. Physics and Chemistry of Minerals, 18, 365-372.
10. 3. Physics and Chemistry of Minerals, 14, 101-106.
11. 3 ilmenite. American Mineralogist, 81, 45-50.
12. Robinson, K., Gibbs, G.V., and Ribbe, P.M. (1971) Quadratic elongation: a quantum measure of distortion in coordination of polyhedra. Science, 172, 567-570.
13. 3 at pressures up to 24 GPa and temperatures up to 2200°C: Phase stability and properties of tetragonal garnet. In M.H. Manghnani and Y. Syono, Eds., High-Pressure Research in Mineral Physics, p. 209-220. Tera Scientific, Tokyo, Japan.
14. Troullier, N. and Martins, J.L. (1991) Efficient pseudopotentials for plane-wave calculations. Physical Review B, 43, 1993-2003.
15. Weidner, D.J. and Ito, E. (1985) Elasticity of MgSiO3 in the ilmenite phase. Physics of Earth and Planetary Interiors, 40, 65-70.
16. 3 perovskite. Physical Review Letters, 70, 3947-3950.
17. 3 perovskites at lower mantle pressures. Physics and Earth Planetary Interior, 90, 101-112.
18. 3 perovskite and geophysical implications. Earth Planetary Science Letters, 164, 371-378.