Molecular orbital study on the onset of the pressure-induced transformations of the metastably compressed germanates

Physics and Chemistry of Minerals

Volumn 29, Issue 4, 2002, Pages 261-266

  Friedlander, Ruth ^a   Jarosch, Ernst ^a   Urban, Jörg ^a   Volkwein, Corinna ^a   Sommer, Thomas ^a  

^a MAX DELBRÜCK CENTER FOR MOLECULAR MEDICINE   (Germany)

Author keywords

Germanates; High pressure transformation; Molecular orbital calculation; Structural instability

Indexed keywords

CRYSTAL CHEMISTRY; CRYSTAL STRUCTURE; GERMANATE; HIGH PRESSURE; TRANSFORMATION;

EID: 0036282002     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00269-001-0230-6     Document Type: Article

References (36)

1. 3 wollastonite
2. Pressure-induced amorphization, elastic instability, and soft modes in alphaquartz
3. Structural properties of α-quartz near the amorphous transition
4. A molecular orbital study of bond length and angle variations in framework structures
5. 2 at elevated pressure
6. Molecules as models for bonding in silicates
7. Molecular mimicry of bond length and angle variations in germanate and thiogermanate crystals: A comparison with variations calculated for C-, Si-, and Sn- containing oxides and sulfide molecules
8. SiO and GeO bonded interactions as inferred from the bond critical point properties of electron density distributions
9. 3 high-P clinopyroxene (C2/c) up to 8.2 GPa
10. 3 high-P clinopyroxene (C2/c) at temperatures up to 365 °C
11. High-pressure crystal chemistry and amorphization of α-quartz
12. Pressure-induced amorphization of crystalline silica
13. Tetrahedral bond length and angle variations in germanates
14. 3 orthopyroxenes
15. 2
16. Shock-produced olivine glass: First observation
17. High-pressure structural study of diopside
18. 2 polymorphs
19. 3-wollastonite under room temperature pressurization
20. 4 olivine
21. The tetrahedral framework in glasses and melts - Inferences from molecular orbital calculations and implications for structure, thermodynamics, and physical properties
22. The nature and the variation of Ge-O bonding in germanates
23. Pressure-induced amorphization of minerals: A review
24. General atomic and molecular electronic structure system
25. Revised effective ionic radii and systematic studies of interatomic distances in halide and chalcogenides
26. Structure of a new high-pressure phase in alpha-quartz determined by molecular dynamics studies
27. The structure and dynamics of silica polymorphs using a two-body effective potential model
28. 2 polymorphs
29. First-principles interatomic potential of silica applied to molecular dynamics
30. 3 from clinopyroxene (C2/c) type to orthorhombic (Pbca) type
31. 2
32. Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
33. 2 (rutile) transformation at pressures to 30 kbar