CaSb2O4 crystallizes in the tetragonal I-4 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Sb(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Sb(1) atom.
CaSb2O4 crystallizes in the tetragonal I-4 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. All Ca(1)-O(2) bond lengths are 2.34 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ca(2)-O(1) bond lengths are 2.62 Å. All Ca(2)-O(2) bond lengths are 2.56 Å. Sb(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. The Sb(1)-O(2) bond length is 1.95 Å. There is one shorter (1.94 Å) and one longer (2.06 Å) Sb(1)-O(1) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Sb(1) atom.