MnAlO3 crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form MnO5 trigonal bipyramids that share corners with six equivalent Al(1)O6 octahedra and corners with six equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. Al(1) is bonded to six equivalent O(1) atoms to form distorted AlO6 octahedra that share corners with six equivalent Mn(1)O5 trigonal bipyramids and edges with six equivalent Al(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. In the second O site, O(1) is bonded to one Mn(1) and three equivalent Al(1) atoms to form a mixture of corner and edge-sharing OMnAl3 tetrahedra.
MnAlO3 crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form MnO5 trigonal bipyramids that share corners with six equivalent Al(1)O6 octahedra and corners with six equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. Both Mn(1)-O(1) bond lengths are 2.00 Å. All Mn(1)-O(2) bond lengths are 1.87 Å. Al(1) is bonded to six equivalent O(1) atoms to form distorted AlO6 octahedra that share corners with six equivalent Mn(1)O5 trigonal bipyramids and edges with six equivalent Al(1)O6 octahedra. All Al(1)-O(1) bond lengths are 2.06 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. In the second O site, O(1) is bonded to one Mn(1) and three equivalent Al(1) atoms to form a mixture of corner and edge-sharing OMnAl3 tetrahedra.