Six-fold coordinated carbon dioxide VI
- LLNL
Under standard conditions, carbon dioxide (CO{sub 2}) is a simple molecular gas and an important atmospheric constituent, whereas silicon dioxide (SiO{sub 2}) is a covalent solid, and one of the fundamental minerals of the planet. The remarkable dissimilarity between these two group IV oxides is diminished at higher pressures and temperatures as CO{sub 2} transforms to a series of solid phases, from simple molecular to a fully covalent extended-solid V, structurally analogous to SiO{sub 2} tridymite. Here, we present the discovery of an extended-solid phase of CO{sub 2}: a six-fold coordinated stishovite-like phase VI, obtained by isothermal compression of associated CO{sub 2}-II above 50 GPa at 530-650 K. Together with the previously reported CO{sub 2}-V and a-carbonia, this extended phase indicates a fundamental similarity between CO{sub 2} (a prototypical molecular solid) and SiO{sub 2} (one of Earth's fundamental building blocks). We present a phase diagram with a limited stability domain for molecular CO{sub 2}-I, and suggest that the conversion to extended-network solids above 40-50 GPa occurs via intermediate phases II, III and IV. The crystal structure of phase VI suggests strong disorder along the c axis in stishovite-like P4{sub 2}/mnm, with carbon atoms manifesting an average six-fold coordination within the framework of sp{sup 3} hybridization.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 1007554
- Journal Information:
- Nat. Mater., Vol. 6, Issue (1) ; 01, 2007; ISSN 1476-1122
- Country of Publication:
- United States
- Language:
- ENGLISH
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