Table 1 Mean nearest-neighbor coordination numbers in recovered phases

From: Prediction of an alternative high-pressure route to polymeric carbon dioxide as a metastable energetic material

Mean NNCN

pa,rc[CO2]

pa,rc[CO + O2]

CO2-V

Carbon–Oxygen

3.08

1.85

3.93

Oxygen–Carbon

1.78

0.92

1.95

Oxygen–Oxygen

0.32

0.21

0.00

Carbon–Carbon

0.08

1.37

0.00

  1. Values of mean nearest-neighbor coordination number (NNCN) calculated for different ion-type pairs in recovered phases of pa,rc[CO2] at 200 K, pa,rc[CO + O2] at 300 K, and CO2-V at 100 K.
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