BaBiO3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to six equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second Bi site, Bi(2) is bonded to six equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 18°. O(1) 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 trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. There are a spread of Ba(1)-O(1) bond distances ranging from 2.76-3.13 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to six equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Bi(1)-O(1) bond lengths are 2.14 Å. In the second Bi site, Bi(2) is bonded to six equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Bi(2)-O(1) bond lengths are 2.29 Å. O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Bi(1), and one Bi(2) atom.