CaSb2O4 crystallizes in the orthorhombic Pbcm space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. Sb(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing OCa2Sb2 tetrahedra. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Sb(1) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Sb(1) atoms to form a mixture of edge and corner-sharing OCa2Sb2 trigonal pyramids.
CaSb2O4 crystallizes in the orthorhombic Pbcm space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. There is one shorter (2.32 Å) and one longer (2.85 Å) Ca(1)-O(3) bond length. There are two shorter (2.52 Å) and two longer (2.59 Å) Ca(1)-O(1) bond lengths. Sb(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Sb(1)-O(2) bond length is 2.08 Å. The Sb(1)-O(3) bond length is 2.14 Å. There is one shorter (2.04 Å) and one longer (2.30 Å) Sb(1)-O(1) 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 Sb(1) atoms to form a mixture of distorted edge and corner-sharing OCa2Sb2 tetrahedra. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Sb(1) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Sb(1) atoms to form a mixture of edge and corner-sharing OCa2Sb2 trigonal pyramids.