ScTaP2SO12 crystallizes in the monoclinic Cc space group. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form ScO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. Ta(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-30°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. S(1) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are twelve inequivalent O sites. In the first O site, O(7) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. In the third O site, O(9) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the fourth O site, O(10) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the fifth O site, O(11) is bonded in a bent 150 degrees geometry to one Ta(1) and one S(1) atom. In the sixth O site, O(12) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(2) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the eighth O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the ninth O site, O(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. In the tenth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the eleventh O site, O(5) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(2) atom. In the twelfth O site, O(6) is bonded in a bent 150 degrees geometry to one Ta(1) and one S(1) atom.
ScTaP2SO12 crystallizes in the monoclinic Cc space group. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form ScO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. The Sc(1)-O(1) bond length is 2.06 Å. The Sc(1)-O(2) bond length is 2.12 Å. The Sc(1)-O(3) bond length is 2.03 Å. The Sc(1)-O(7) bond length is 2.05 Å. The Sc(1)-O(8) bond length is 2.03 Å. The Sc(1)-O(9) bond length is 2.10 Å. Ta(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. The Ta(1)-O(10) bond length is 1.92 Å. The Ta(1)-O(11) bond length is 2.08 Å. The Ta(1)-O(12) bond length is 1.96 Å. The Ta(1)-O(4) bond length is 1.95 Å. The Ta(1)-O(5) bond length is 1.98 Å. The Ta(1)-O(6) bond length is 2.18 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-30°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(10) bond length is 1.60 Å. The P(1)-O(4) bond length is 1.59 Å. The P(1)-O(7) bond length is 1.50 Å. In the second P site, P(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. The P(2)-O(12) bond length is 1.59 Å. The P(2)-O(3) bond length is 1.51 Å. The P(2)-O(5) bond length is 1.59 Å. The P(2)-O(8) bond length is 1.51 Å. S(1) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. The S(1)-O(11) bond length is 1.52 Å. The S(1)-O(2) bond length is 1.46 Å. The S(1)-O(6) bond length is 1.49 Å. The S(1)-O(9) bond length is 1.46 Å. There are twelve inequivalent O sites. In the first O site, O(7) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. In the third O site, O(9) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the fourth O site, O(10) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the fifth O site, O(11) is bonded in a bent 150 degrees geometry to one Ta(1) and one S(1) atom. In the sixth O site, O(12) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(2) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the eighth O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the ninth O site, O(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. In the tenth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the eleventh O site, O(5) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(2) atom. In the twelfth O site, O(6) is bonded in a bent 150 degrees geometry to one Ta(1) and one S(1) atom.