CO2 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent C sites. In the first C site, C(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing CO4 tetrahedra. In the second C site, C(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form corner-sharing CO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent C(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent C(2) atoms.
CO2 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent C sites. In the first C site, C(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing CO4 tetrahedra. The C(1)-O(1) bond length is 1.40 Å. The C(1)-O(2) bond length is 1.39 Å. Both C(1)-O(3) bond lengths are 1.42 Å. In the second C site, C(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form corner-sharing CO4 tetrahedra. The C(2)-O(1) bond length is 1.42 Å. The C(2)-O(2) bond length is 1.41 Å. There is one shorter (1.38 Å) and one longer (1.41 Å) C(2)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent C(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent C(2) atoms.