BaInO3 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second In site, In(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 8-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one In(1), and one In(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles range from 3-58°. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles range from 2-58°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent In(2) atoms.
BaInO3 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. Both Ba(1)-O(3) bond lengths are 2.79 Å. There are a spread of Ba(1)-O(1) bond distances ranging from 2.98-3.12 Å. There are two shorter (2.93 Å) and two longer (2.97 Å) Ba(1)-O(2) bond lengths. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. Both In(1)-O(1) bond lengths are 2.19 Å. All In(1)-O(2) bond lengths are 2.14 Å. In the second In site, In(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 8-24°. Both In(2)-O(1) bond lengths are 2.15 Å. All In(2)-O(3) bond lengths are 2.19 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one In(1), and one In(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles range from 3-58°. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4In2 octahedra. The corner-sharing octahedral tilt angles range from 2-58°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent In(2) atoms.