MoAlO3 crystallizes in the orthorhombic Pnma space group. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and corners with eight equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with eight equivalent Mo(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-82°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Al(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Al(1) atoms.
MoAlO3 crystallizes in the orthorhombic Pnma space group. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and corners with eight equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. Both Mo(1)-O(2) bond lengths are 2.33 Å. There are two shorter (2.11 Å) and two longer (2.13 Å) Mo(1)-O(1) bond lengths. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with eight equivalent Mo(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-82°. Both Al(1)-O(1) bond lengths are 1.77 Å. Both Al(1)-O(2) bond lengths are 1.89 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Al(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Al(1) atoms.