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Partially collapsed cristobalite structure in the non molecular phase V in CO 2

Acceso Abierto
ID Minciencias: ART-0000149519-21
Ranking: ART-ART_A1

Abstract:

Non molecular CO(2) has been an important subject of study in high pressure physics and chemistry for the past decade opening up a unique area of carbon chemistry. The phase diagram of CO(2) includes several non molecular phases above 30 GPa. Among these, the first discovered was CO(2)-V which appeared silica-like. Theoretical studies suggested that the structure of CO(2)-V is related to that of β-cristobalite with tetrahedral carbon coordination similar to silicon in SiO(2), but reported experimental structural studies have been controversial. We have investigated CO(2)-V obtained from molecular CO(2) at 40-50 GPa and T > 1500 K using synchrotron X-ray diffraction, optical spectroscopy, and computer simulations. The structure refined by the Rietveld method is a partially collapsed variant of SiO(2) β-cristobalite, space group I42d, in which the CO(4) tetrahedra are tilted by 38.4° about the c-axis. The existence of CO(4) tetrahedra (average O-C-O angle of 109.5°) is thus confirmed. The results add to the knowledge of carbon chemistry with mineral phases similar to SiO(2) and potential implications for Earth and planetary interiors.

Tópico:

High-pressure geophysics and materials

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Citations: 59
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Información de la Fuente:

SCImago Journal & Country Rank
FuenteProceedings of the National Academy of Sciences
Cuartil año de publicaciónNo disponible
Volumen109
Issue14
Páginas5176 - 5179
pISSNNo disponible
ISSN0027-8424

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