BiAlO3 crystallizes in the hexagonal P6_3/mmc space group. Al(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Bi(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form corner-sharing BiO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent Bi(1) atoms. In the second O site, O(1) is bonded to three equivalent Al(1) and one Bi(1) atom to form a mixture of edge and corner-sharing OAl3Bi tetrahedra.
BiAlO3 crystallizes in the hexagonal P6_3/mmc space group. Al(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Al(1)-O(1) bond lengths are 2.25 Å. Bi(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form corner-sharing BiO5 trigonal bipyramids. Both Bi(1)-O(1) bond lengths are 2.42 Å. All Bi(1)-O(2) bond lengths are 2.10 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent Bi(1) atoms. In the second O site, O(1) is bonded to three equivalent Al(1) and one Bi(1) atom to form a mixture of edge and corner-sharing OAl3Bi tetrahedra.