CaSb3O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Sb site, Sb(2) is bonded in a distorted trigonal bipyramidal geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one Sb(2) atom. In the second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Sb(1) atoms. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(2) is bonded to one Ca(1), one Sb(2), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing OCaSb3 trigonal pyramids.
CaSb3O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Ca(1)-O(3) bond length is 2.32 Å. Both Ca(1)-O(1) bond lengths are 2.50 Å. Both Ca(1)-O(2) bond lengths are 2.54 Å. Both Ca(1)-O(4) bond lengths are 2.38 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. The Sb(1)-O(1) bond length is 2.03 Å. There is one shorter (2.32 Å) and one longer (2.55 Å) Sb(1)-O(2) bond length. There is one shorter (2.04 Å) and one longer (2.07 Å) Sb(1)-O(4) bond length. In the second Sb site, Sb(2) is bonded in a distorted trigonal bipyramidal geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Sb(2)-O(3) bond length is 1.89 Å. Both Sb(2)-O(1) bond lengths are 2.04 Å. Both Sb(2)-O(2) bond lengths are 2.00 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one Sb(2) atom. In the second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Sb(1) atoms. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(2) is bonded to one Ca(1), one Sb(2), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing OCaSb3 trigonal pyramids.