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In this LDRD, we examined in detail the pressure-induced bonding and local coordination changes leading to the molecular {yields} associated {yields} extended-solid transitions in carbon dioxide (CO{sub 2}). We studied the progressive delocalization of electrons from the C=O molecular double bond at high pressures and temperatures, and determined the phase stability and physical properties of a new extended-solid CO{sub 2} phase (VI). We find that the new CO{sub 2} phase VI is based on a network of six-fold coordinated (octahedral) CO{sub 6} structures similar to the ultra-hard SiO{sub 2} phase stishovite

Pressure Induced Bonding Changes in Carbon Dioxide: Six Fold Coordinated CO2