YAlO3 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Al(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form corner-sharing AlO5 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 Al(1) atoms. In the second O site, O(1) is bonded to three equivalent Y(1) and one Al(1) atom to form a mixture of distorted edge and corner-sharing OY3Al tetrahedra.
YAlO3 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Y(1)-O(1) bond lengths are 2.27 Å. Al(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form corner-sharing AlO5 trigonal bipyramids. Both Al(1)-O(1) bond lengths are 1.82 Å. All Al(1)-O(2) bond lengths are 2.01 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent Al(1) atoms. In the second O site, O(1) is bonded to three equivalent Y(1) and one Al(1) atom to form a mixture of distorted edge and corner-sharing OY3Al tetrahedra.