TaAlO4 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with eight equivalent Al(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom.
TaAlO4 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with eight equivalent Al(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Both Ta(1)-O(1) bond lengths are 1.99 Å. All Ta(1)-O(2) bond lengths are 2.00 Å. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Both Al(1)-O(2) bond lengths are 1.96 Å. All Al(1)-O(1) bond lengths are 1.95 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom.