BiAlO3 crystallizes in the monoclinic P2_1/c space group. Al(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing AlO5 trigonal bipyramids. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Al(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OAl2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Al(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(1) and two equivalent Bi(1) atoms.
BiAlO3 crystallizes in the monoclinic P2_1/c space group. Al(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing AlO5 trigonal bipyramids. The Al(1)-O(3) bond length is 1.83 Å. There is one shorter (1.83 Å) and one longer (1.96 Å) Al(1)-O(1) bond length. There is one shorter (1.87 Å) and one longer (1.94 Å) Al(1)-O(2) bond length. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There is one shorter (2.34 Å) and one longer (2.60 Å) Bi(1)-O(1) bond length. There is one shorter (2.23 Å) and one longer (2.72 Å) Bi(1)-O(2) bond length. There is one shorter (2.21 Å) and one longer (2.40 Å) Bi(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Al(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OAl2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Al(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(1) and two equivalent Bi(1) atoms.