CaO2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a distorted q4 geometry to ten equivalent O(1) atoms. O(1) is bonded to five equivalent Ca(1) and one O(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa5O pentagonal pyramids.
CaO2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a distorted q4 geometry to ten equivalent O(1) atoms. There are eight shorter (2.44 Å) and two longer (2.61 Å) Ca(1)-O(1) bond lengths. O(1) is bonded to five equivalent Ca(1) and one O(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa5O pentagonal pyramids. The O(1)-O(1) bond length is 1.50 Å.