BaYCuSbO5 crystallizes in the tetragonal P4mm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. Sb(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted corner-sharing SbO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa2Y2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Sb(1) atom.
BaYCuSbO5 crystallizes in the tetragonal P4mm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. All Ba(1)-O(2) bond lengths are 2.93 Å. All Ba(1)-O(3) bond lengths are 2.98 Å. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Y(1)-O(1) bond lengths are 2.61 Å. All Y(1)-O(2) bond lengths are 2.43 Å. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. All Cu(1)-O(2) bond lengths are 2.06 Å. Sb(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted corner-sharing SbO5 square pyramids. The Sb(1)-O(3) bond length is 1.98 Å. All Sb(1)-O(1) bond lengths are 2.09 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa2Y2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Sb(1) atom.