New insights into the high-pressure polymorphism of SiO2 cristobalite

Physics and Chemistry of Minerals

Volumn 38, Issue 7, 2011, Pages 517-529

  Dera, Przemyslaw ^a   Lazarz, John D ^a   Prakapenka, Vitali B ^a   Barkley, Madison ^b   Downs, Robert T ^b  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b The University of Arizona   (United States)

Author keywords

High pressure; Metastability; Phase transitions; Polymorphism; Silica

Indexed keywords

CRISTOBALITES; DENSIFICATION MODELS; DIFFRACTION DATA; DISPLACIVE PHASE TRANSITIONS; HIGH PRESSURE; HIGH PRESSURE POLYMORPHISM; IN-SITU STUDY; META-STABLE STATE; METASTABILITY; MONOCLINIC UNITS; PRESSURE INCREASE; QUANTUM-MECHANICAL CALCULATION; SINGLE CRYSTAL X-RAY DIFFRACTION; STRUCTURE MODELS;

CRYSTAL STRUCTURE; DIFFRACTION; EXPERIMENTS; PHASE TRANSITIONS; QUANTUM THEORY; SILICA; SILICON COMPOUNDS; X RAY DIFFRACTION;

SILICATE MINERALS;

CRISTOBALITE; CRYSTAL STRUCTURE; HIGH PRESSURE; PHASE TRANSITION; POLYMORPHISM; SILICON;

EID: 79955940224     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-011-0424-5     Document Type: Article

References (28)

1. Brandenburg K, Putz H (2009) Endeavour. Crystal Impact GbR, Bonn.
2. Dera P (2007) GSE_ADA data analysis program for monochromatic single crystal diffraction with area detector. GSECARS, Chicago.
3. Dewaele A, Datchi F et al (2008) High pressure-high temperature equations of state of neon and diamond. Phys Rev B77: 094106.
4. 2 polymorphs. Europhys Lett 37: 553-558.
5. Donadio D, Martonak R et al (2008) Influence of temperature and anisotropic pressure on the phase transition in a-cristobalite. Phys Rev Lett 100: 165502.
6. 2. Mineral Mag 64: 569-576.
7. Downs RT, Palmer DC (1994) The pressure behavior of a cristobalite. Am Mineral 79: 9-14.
8. Downs RT, Gibbs GV et al (1990) A study of the mean-square displacement amplitudes of Si, Al and O atoms in framework structures: evidence for rigid bonds, order, twinning and stacking faults. Am Mineral 75: 1253-1267.
9. Dubrovinsky LS, Dubrovinskaia NA et al (2004) A class of new high-pressure silica polymorphs. Phys Earth Planet Inter 143-144: 231-240.
10. Durandurdu M (2009) Formation of an anataselike phase in silica under anisotropic stress: an ab initio constant-pressure study. Phys Rev B 80: 024102.
11. Farrow CL, Juhas P et al (2007) PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals. J Phys Condens Matter 19: 335219.
12. 2). J Phys Condens Matter 19: 456201.
13. Huang L, Durandurdu M et al (2006) Transformation pathways of silica under high pressure. Nat Mater 5: 977-981.
14. Keskar NR, Chelikowsky JR (1992) Structural properties of nine silica polymorphs. Phys Rev B46: 1-13.
15. Klotz S, Chervin J-C et al (2009) Hydrostatic limits of 11 pressure transmitting media. J Phys D Appl Phys 42: 075413.
16. Liang Y, Miranda CR et al (2007) Tuning oxygen packing in silica by nonhydrostatic pressure. Phys Rev Lett 99: 215504.
17. Mao HK, Xu J et al (1986) Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions. J Geophys Res 91: 4673-4676.
18. Onodera A, Suito K et al (1997) Synchroteon X-ray diffraction study of cristobalite at high pressure and high temperature. High Pressure Res 15: 307-319.
19. Palmer DC, Finger LW (1994) Pressure-induced phase transition in cristobalite: an X-ray powder diffraction study to 4. 4 GPa. Amer Mineral 79: 1-8.
20. Palmer DC, Hemley RJ et al (1994) Raman spectroscopic study of high-pressure phase transitions in cristobalite. Phys Chem Mineral 21: 481-488.
21. Putz H, Schon JC et al (1999) Combined method for 'Ab Initio' structure solution from powder diffraction data. J Appl Cryst 32: 864-870.
22. Rivers ML, Prakapenka VB et al (2008) The COMPRES/GSECARS gas loading system for diamond anvil cells at the advanced photon source. High Pressure Res 28: 273-292.
23. Sheldrick GM (2008) A short history of SHELX. Acta Cryst A64: 112-122.
24. Sowa H (1988) The O packings of low-quartz and ReO3 under high pressure. Zeit Krist 184: 257-268.
25. Thompson RM, Downs RT (2010) Packing systematics of the silica polymorphs: the role played by O-O nonbonded interactions in the compression of quartz. Am Mineral 95: 104-111.
26. Tsenyuki S, Matsui Y et al (1989) New pressure-induced structural transformations in silica obtained by computer simulation. Nature 339: 209-211.
27. van Valkenburg A, Buie BF (1945) Octahedral cristobalite with quartz paramorphs from Ellora Caves, Hyderabad State, India. Am Mineral 30: 526-535.
28. Yahagi Y, Yagi T et al (1994) Infrared absorption spectra of the high-pressure phases of cristobalite and their coordination numbers of silicon atoms. Solid State Comm 89: 945-948.