CO2 Simon A, Peters K Acta Crystallographica B36 (1980) 2750-2751 Single-crystal refinement of the structure of carbon dioxide Sample: T = 150 K _database_code_amcsd 0009722 5.624 5.624 5.624 90 90 90 Pa3 atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) C 0 0 0 .01344 .01344 .01344 .00158 .00158 .00158 O .1185 .1185 .1185 .01818 .01818 .01818 -.00253 -.00253 -.00253