ZnSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-79°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-81°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(2) atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(1) atoms to form distorted corner-sharing OZn2Sb2 tetrahedra.
ZnSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-79°. The Zn(1)-O(3) bond length is 2.14 Å. The Zn(1)-O(4) bond length is 2.03 Å. Both Zn(1)-O(1) bond lengths are 2.03 Å. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-81°. The Zn(2)-O(3) bond length is 2.19 Å. The Zn(2)-O(4) bond length is 2.03 Å. Both Zn(2)-O(2) bond lengths are 2.04 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-53°. Both Sb(1)-O(1) bond lengths are 2.29 Å. Both Sb(1)-O(2) bond lengths are 2.28 Å. Both Sb(1)-O(4) bond lengths are 2.25 Å. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. Both Sb(2)-O(1) bond lengths are 2.01 Å. Both Sb(2)-O(2) bond lengths are 1.98 Å. Both Sb(2)-O(3) bond lengths are 2.22 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(2) atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(1) atoms to form distorted corner-sharing OZn2Sb2 tetrahedra.