CaCr2O5 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CrO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OCa2Cr2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1) and three equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cr(1) atom.
CaCr2O5 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Both Ca(1)-O(1) bond lengths are 2.39 Å. Both Ca(1)-O(2) bond lengths are 2.59 Å. All Ca(1)-O(3) bond lengths are 2.50 Å. Cr(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CrO5 trigonal bipyramids. The Cr(1)-O(1) bond length is 1.91 Å. The Cr(1)-O(3) bond length is 1.72 Å. There are two shorter (1.94 Å) and one longer (1.98 Å) Cr(1)-O(2) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OCa2Cr2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1) and three equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cr(1) atom.