TaAlO4 crystallizes in the monoclinic C2/m space group. Ta(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Al(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ta(1) and one Al(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Al(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one Al(1) atom. In the fourth O site, O(4) is bonded to one Ta(1) and three equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing OTaAl3 trigonal pyramids.
TaAlO4 crystallizes in the monoclinic C2/m space group. Ta(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. The Ta(1)-O(3) bond length is 1.81 Å. The Ta(1)-O(4) bond length is 2.16 Å. Both Ta(1)-O(1) bond lengths are 1.96 Å. There is one shorter (1.89 Å) and one longer (2.27 Å) Ta(1)-O(2) bond length. Al(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 26°. The Al(1)-O(1) bond length is 1.96 Å. The Al(1)-O(2) bond length is 1.84 Å. The Al(1)-O(3) bond length is 1.82 Å. There are two shorter (1.94 Å) and one longer (1.98 Å) Al(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ta(1) and one Al(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Al(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one Al(1) atom. In the fourth O site, O(4) is bonded to one Ta(1) and three equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing OTaAl3 trigonal pyramids.