Jae-Hyun Park, C. Yoo, V. Iota
Jul 18, 2003
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0
Influential Citations
44
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Journal
Physical Review B
Abstract
The crystal structure of carbon dioxide phase IV (CO 2 -IV) has been characterized based on powder angle-resolved x-ray diffraction data obtained in situ at 300-750 K and 11-50 GPa. The results confirm that in this high-pressure polymorph O=C=O molecules are nonlinear. Rietveld analyses of the x-ray data yield two plausible structures: P4 1 2 1 2 (α-SiO 2 cristobalite) and Pbcn (α-PbO 2 , post-stishovite). Carbon dioxide molecules are bent slightly more in the Pbcn phase (