TaOPO4 crystallizes in the tetragonal P4/nmm space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ta(1) atoms.
TaOPO4 crystallizes in the tetragonal P4/nmm space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. There is one shorter (1.83 Å) and one longer (2.22 Å) Ta(1)-O(2) bond length. All Ta(1)-O(1) bond lengths are 2.00 Å. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 29°. All P(1)-O(1) bond lengths are 1.54 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ta(1) atoms.