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The mechanism of solution of aluminum oxide in MgSiO 3 perovskite

✍ Scribed by Stebbins, Jonathan F.; Kroeker, Scott; Andrault, Denis

Book ID
119655316
Publisher
American Geophysical Union
Year
2001
Tongue
English
Weight
490 KB
Volume
28
Category
Article
ISSN
1944-8007

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πŸ“œ SIMILAR VOLUMES

A quantum mechanical study of the perovs
A quantum mechanical study of the perovskite structure type of MgSiO3
✍ Ph. D'Arco; G. Sandrone; R. Dovesi; R. Orlando; V. R. Saunders πŸ“‚ Article πŸ“… 1993 πŸ› Springer-Verlag 🌐 English βš– 681 KB

The periodic ab-initio Hartree-Fock Self Consistent Field program CRYSTAL has been used to study the electronic structure and equation of state of MgSiO3 perovskite. Three space groups were considered: Pm3m (cubic; ideal untilted SiO6 octahedra), P4/mbm (tetragonal; the octahedra are allowed to defo