Ta3Sb(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form TaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Ta site, Ta(2) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form TaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Ta site, Ta(3) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form TaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Sb(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form SbO6 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(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-35°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(2) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Ta(2) and one P(2) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(3) and one P(1) atom. In the fourth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Ta(2) and one P(1) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Ta(3) and one P(2) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom.
Ta3Sb(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form TaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. All Ta(1)-O(2) bond lengths are 1.95 Å. All Ta(1)-O(6) bond lengths are 1.96 Å. In the second Ta site, Ta(2) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form TaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. All Ta(2)-O(3) bond lengths are 1.98 Å. All Ta(2)-O(7) bond lengths are 1.97 Å. In the third Ta site, Ta(3) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form TaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. All Ta(3)-O(4) bond lengths are 2.00 Å. All Ta(3)-O(8) bond lengths are 1.95 Å. Sb(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. All Sb(1)-O(1) bond lengths are 2.20 Å. All Sb(1)-O(5) bond lengths are 2.27 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-35°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. The P(2)-O(2) bond length is 1.53 Å. The P(2)-O(3) bond length is 1.54 Å. The P(2)-O(5) bond length is 1.49 Å. The P(2)-O(8) bond length is 1.54 Å. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(2) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Ta(2) and one P(2) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(3) and one P(1) atom. In the fourth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Ta(2) and one P(1) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Ta(3) and one P(2) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom.