CsMgBiO3 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to two equivalent Mg(1) and four equivalent O(2) atoms to form distorted CsMg2O4 octahedra that share corners with six equivalent Cs(1)Mg2O4 octahedra, corners with eight equivalent Bi(1)O6 octahedra, and edges with four equivalent Cs(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Cs(1) and four equivalent O(1) atoms. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and corners with eight equivalent Cs(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to four equivalent Cs(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OCs4Bi2 octahedra. The corner-sharing octahedra are not tilted.
CsMgBiO3 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to two equivalent Mg(1) and four equivalent O(2) atoms to form distorted CsMg2O4 octahedra that share corners with six equivalent Cs(1)Mg2O4 octahedra, corners with eight equivalent Bi(1)O6 octahedra, and edges with four equivalent Cs(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Both Cs(1)-Mg(1) bond lengths are 2.82 Å. All Cs(1)-O(2) bond lengths are 3.19 Å. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Cs(1) and four equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.26 Å. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and corners with eight equivalent Cs(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Both Bi(1)-O(2) bond lengths are 2.82 Å. All Bi(1)-O(1) bond lengths are 2.26 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to four equivalent Cs(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OCs4Bi2 octahedra. The corner-sharing octahedra are not tilted.