CaCr2O2 crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted edge-sharing CaO6 octahedra. Cr(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded to three equivalent Ca(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OCa3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-89°.
CaCr2O2 crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted edge-sharing CaO6 octahedra. There are two shorter (2.47 Å) and four longer (2.56 Å) Ca(1)-O(1) bond lengths. Cr(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. There is one shorter (2.14 Å) and two longer (2.47 Å) Cr(1)-O(1) bond lengths. O(1) is bonded to three equivalent Ca(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OCa3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-89°.