BaBiO3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(2) and eight equivalent O(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. In the second Bi site, Bi(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Bi(1), and one Bi(2) atom.
BaBiO3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(2) and eight equivalent O(1) atoms. There is one shorter (2.73 Å) and two longer (3.12 Å) Ba(1)-O(2) bond lengths. There are a spread of Ba(1)-O(1) bond distances ranging from 2.84-3.37 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. Both Bi(1)-O(2) bond lengths are 2.29 Å. All Bi(1)-O(1) bond lengths are 2.29 Å. In the second Bi site, Bi(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. Both Bi(2)-O(2) bond lengths are 2.14 Å. All Bi(2)-O(1) bond lengths are 2.14 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Bi(1), and one Bi(2) atom.