NaScTiP2SO12 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Sc(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 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. Ti(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 TiO6 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-36°. There are twelve inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the third O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the fourth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one S(1) atom. In the fifth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. In the sixth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one S(1) atom. In the seventh O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(2) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the ninth O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(1) atom. In the tenth O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eleventh O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the twelfth O site, O(5) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom.
NaScTiP2SO12 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. The Na(1)-O(10) bond length is 2.61 Å. The Na(1)-O(11) bond length is 2.67 Å. The Na(1)-O(12) bond length is 2.56 Å. The Na(1)-O(7) bond length is 2.59 Å. The Na(1)-O(8) bond length is 2.56 Å. The Na(1)-O(9) bond length is 2.60 Å. Sc(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 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(10) bond length is 2.02 Å. The Sc(1)-O(11) bond length is 2.16 Å. The Sc(1)-O(12) bond length is 2.08 Å. The Sc(1)-O(4) bond length is 1.97 Å. The Sc(1)-O(5) bond length is 2.01 Å. The Sc(1)-O(6) bond length is 2.12 Å. Ti(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 TiO6 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 Ti(1)-O(1) bond length is 1.93 Å. The Ti(1)-O(2) bond length is 2.08 Å. The Ti(1)-O(3) bond length is 1.91 Å. The Ti(1)-O(7) bond length is 2.01 Å. The Ti(1)-O(8) bond length is 2.00 Å. The Ti(1)-O(9) bond length is 2.07 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(10) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.52 Å. The P(1)-O(7) bond length is 1.56 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. The P(2)-O(12) bond length is 1.53 Å. The P(2)-O(3) bond length is 1.59 Å. The P(2)-O(5) bond length is 1.52 Å. The P(2)-O(8) bond length is 1.56 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-36°. The S(1)-O(11) bond length is 1.47 Å. The S(1)-O(2) bond length is 1.50 Å. The S(1)-O(6) bond length is 1.46 Å. The S(1)-O(9) bond length is 1.50 Å. There are twelve inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the third O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the fourth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one S(1) atom. In the fifth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. In the sixth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one S(1) atom. In the seventh O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(2) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the ninth O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(1) atom. In the tenth O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eleventh O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the twelfth O site, O(5) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom.