Ba4InSbO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Sb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one In(1), and one Sb(1) atom to form distorted OBa4InSb octahedra that share corners with two equivalent O(1)Ba4InSb octahedra, corners with six equivalent O(2)Ba5In octahedra, corners with six equivalent O(3)Ba5Sb octahedra, edges with two equivalent O(1)Ba4InSb octahedra, faces with two equivalent O(2)Ba5In octahedra, faces with two equivalent O(3)Ba5Sb octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one In(1) atom to form distorted OBa5In octahedra that share corners with five equivalent O(2)Ba5In octahedra, corners with twelve equivalent O(1)Ba4InSb octahedra, edges with two equivalent O(2)Ba5In octahedra, edges with six equivalent O(3)Ba5Sb octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the third O site, O(3) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Sb(1) atom to form distorted OBa5Sb octahedra that share corners with five equivalent O(3)Ba5Sb octahedra, corners with twelve equivalent O(1)Ba4InSb octahedra, edges with two equivalent O(3)Ba5Sb octahedra, edges with six equivalent O(2)Ba5In octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-55°.
Ba4InSbO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. Both Ba(1)-O(3) bond lengths are 3.00 Å. There is one shorter (2.61 Å) and two longer (3.00 Å) Ba(1)-O(2) bond lengths. All Ba(1)-O(1) bond lengths are 2.90 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. Both Ba(2)-O(2) bond lengths are 3.01 Å. There is one shorter (2.71 Å) and two longer (3.00 Å) Ba(2)-O(3) bond lengths. All Ba(2)-O(1) bond lengths are 2.87 Å. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Both In(1)-O(2) bond lengths are 2.14 Å. All In(1)-O(1) bond lengths are 2.23 Å. Sb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Both Sb(1)-O(3) bond lengths are 2.05 Å. All Sb(1)-O(1) bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one In(1), and one Sb(1) atom to form distorted OBa4InSb octahedra that share corners with two equivalent O(1)Ba4InSb octahedra, corners with six equivalent O(2)Ba5In octahedra, corners with six equivalent O(3)Ba5Sb octahedra, edges with two equivalent O(1)Ba4InSb octahedra, faces with two equivalent O(2)Ba5In octahedra, faces with two equivalent O(3)Ba5Sb octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one In(1) atom to form distorted OBa5In octahedra that share corners with five equivalent O(2)Ba5In octahedra, corners with twelve equivalent O(1)Ba4InSb octahedra, edges with two equivalent O(2)Ba5In octahedra, edges with six equivalent O(3)Ba5Sb octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the third O site, O(3) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Sb(1) atom to form distorted OBa5Sb octahedra that share corners with five equivalent O(3)Ba5Sb octahedra, corners with twelve equivalent O(1)Ba4InSb octahedra, edges with two equivalent O(3)Ba5Sb octahedra, edges with six equivalent O(2)Ba5In octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-55°.