NbInP2SO12 crystallizes in the monoclinic Cc space group. Nb(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 NbO6 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. In(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 InO6 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 Nb(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-30°. 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 Nb(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. 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 Nb(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. There are twelve inequivalent O sites. In the first O site, O(7) is bonded in a bent 150 degrees geometry to one In(1) and one P(1) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one In(1) and one P(2) atom. In the third O site, O(9) is bonded in a bent 150 degrees geometry to one In(1) and one S(1) atom. In the fourth O site, O(10) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fifth O site, O(11) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(1) atom. In the sixth O site, O(12) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to one In(1) and one P(1) atom. In the eighth O site, O(2) is bonded in a bent 150 degrees geometry to one In(1) and one S(1) atom. In the ninth O site, O(3) is bonded in a bent 150 degrees geometry to one In(1) and one P(2) atom. In the tenth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the eleventh O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the twelfth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(1) atom.
NbInP2SO12 crystallizes in the monoclinic Cc space group. Nb(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 NbO6 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 Nb(1)-O(10) bond length is 1.92 Å. The Nb(1)-O(11) bond length is 2.07 Å. The Nb(1)-O(12) bond length is 1.96 Å. The Nb(1)-O(4) bond length is 1.97 Å. The Nb(1)-O(5) bond length is 2.01 Å. The Nb(1)-O(6) bond length is 2.25 Å. In(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 InO6 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 In(1)-O(1) bond length is 2.09 Å. The In(1)-O(2) bond length is 2.15 Å. The In(1)-O(3) bond length is 2.08 Å. The In(1)-O(7) bond length is 2.10 Å. The In(1)-O(8) bond length is 2.08 Å. The In(1)-O(9) bond length is 2.15 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 Nb(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-30°. 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 Nb(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. The P(2)-O(12) bond length is 1.60 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 1.50 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 Nb(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. 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 In(1) and one P(1) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one In(1) and one P(2) atom. In the third O site, O(9) is bonded in a bent 150 degrees geometry to one In(1) and one S(1) atom. In the fourth O site, O(10) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fifth O site, O(11) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(1) atom. In the sixth O site, O(12) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to one In(1) and one P(1) atom. In the eighth O site, O(2) is bonded in a bent 150 degrees geometry to one In(1) and one S(1) atom. In the ninth O site, O(3) is bonded in a bent 150 degrees geometry to one In(1) and one P(2) atom. In the tenth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the eleventh O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the twelfth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(1) atom.