Ta(PO4)2 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form TaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-26°. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-25°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(2) atom. In the second O site, O(6) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a linear geometry to one Ta(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a single-bond geometry to one P(1) atom. In the sixth O site, O(4) is bonded in a linear geometry to one Ta(1) and one P(2) atom.
Ta(PO4)2 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form TaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The Ta(1)-O(2) bond length is 1.99 Å. The Ta(1)-O(4) bond length is 1.95 Å. Both Ta(1)-O(1) bond lengths are 1.98 Å. Both Ta(1)-O(5) bond lengths are 1.98 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-26°. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.52 Å. Both P(1)-O(1) bond lengths are 1.56 Å. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-25°. The P(2)-O(4) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.50 Å. Both P(2)-O(5) bond lengths are 1.56 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(2) atom. In the second O site, O(6) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a linear geometry to one Ta(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a single-bond geometry to one P(1) atom. In the sixth O site, O(4) is bonded in a linear geometry to one Ta(1) and one P(2) atom.