BaBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Bi(1)O6 octahedra, and faces with four equivalent Bi(2)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Bi(2)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Bi site, Bi(2) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Ba(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
BaBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Bi(1)O6 octahedra, and faces with four equivalent Bi(2)O6 octahedra. All Ba(1)-O(1) bond lengths are 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 BiO6 octahedra that share corners with six equivalent Bi(2)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Bi(1)-O(1) bond lengths are 2.16 Å. In the second Bi site, Bi(2) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Bi(2)-O(1) bond lengths are 2.27 Å. O(1) is bonded to four equivalent Ba(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.