LaNbP2SO12 crystallizes in the monoclinic Cc space group. La(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 distorted LaO6 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. 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. 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 La(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. 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 La(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-36°. 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 La(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-31°. There are twelve inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 150 degrees geometry to one La(1) and one P(1) atom. In the second O site, O(8) is bonded in a distorted linear geometry to one La(1) and one P(2) atom. In the third O site, O(9) is bonded in a distorted bent 150 degrees geometry to one La(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 distorted bent 150 degrees geometry to one La(1) and one P(1) atom. In the eighth O site, O(2) is bonded in a bent 150 degrees geometry to one La(1) and one S(1) atom. In the ninth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one La(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.
LaNbP2SO12 crystallizes in the monoclinic Cc space group. La(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 distorted LaO6 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 La(1)-O(1) bond length is 2.36 Å. The La(1)-O(2) bond length is 2.40 Å. The La(1)-O(3) bond length is 2.31 Å. The La(1)-O(7) bond length is 2.35 Å. The La(1)-O(8) bond length is 2.33 Å. The La(1)-O(9) bond length is 2.39 Å. 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 2.06 Å. The Nb(1)-O(12) bond length is 1.97 Å. The Nb(1)-O(4) bond length is 1.98 Å. The Nb(1)-O(5) bond length is 2.00 Å. The Nb(1)-O(6) bond length is 2.39 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 La(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(10) bond length is 1.61 Å. The P(1)-O(4) bond length is 1.60 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 La(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-36°. The P(2)-O(12) bond length is 1.59 Å. The P(2)-O(3) bond length is 1.50 Å. The P(2)-O(5) bond length is 1.60 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 La(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-31°. The S(1)-O(11) bond length is 1.53 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 distorted bent 150 degrees geometry to one La(1) and one P(1) atom. In the second O site, O(8) is bonded in a distorted linear geometry to one La(1) and one P(2) atom. In the third O site, O(9) is bonded in a distorted bent 150 degrees geometry to one La(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 distorted bent 150 degrees geometry to one La(1) and one P(1) atom. In the eighth O site, O(2) is bonded in a bent 150 degrees geometry to one La(1) and one S(1) atom. In the ninth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one La(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.