Na3Sc2(PO4)3 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(5), one O(6), one O(8), and two equivalent O(3) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(11), one O(4), one O(5), 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 P(3)O4 tetrahedra. In the second Sc site, Sc(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) 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 P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-42°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-41°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sc(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(3), one Sc(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Na(3), one Sc(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Sc(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Na(2), one Sc(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), one Sc(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Sc(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one Sc(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sc(2), and one P(1) atom.
Na3Sc2(PO4)3 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom. The Na(1)-O(1) bond length is 2.63 Å. The Na(1)-O(11) bond length is 2.39 Å. The Na(1)-O(12) bond length is 2.64 Å. The Na(1)-O(2) bond length is 2.40 Å. The Na(1)-O(5) bond length is 2.49 Å. The Na(1)-O(6) bond length is 2.50 Å. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. The Na(2)-O(1) bond length is 2.48 Å. The Na(2)-O(10) bond length is 2.66 Å. The Na(2)-O(11) bond length is 2.48 Å. The Na(2)-O(12) bond length is 2.59 Å. The Na(2)-O(2) bond length is 2.47 Å. The Na(2)-O(7) bond length is 2.96 Å. The Na(2)-O(8) bond length is 2.94 Å. The Na(2)-O(9) bond length is 2.55 Å. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(5), one O(6), one O(8), and two equivalent O(3) atoms. The Na(3)-O(1) bond length is 2.60 Å. The Na(3)-O(12) bond length is 2.47 Å. The Na(3)-O(5) bond length is 2.50 Å. The Na(3)-O(6) bond length is 2.48 Å. The Na(3)-O(8) bond length is 2.45 Å. There is one shorter (2.83 Å) and one longer (2.87 Å) Na(3)-O(3) bond length. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(11), one O(4), one O(5), 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 P(3)O4 tetrahedra. The Sc(1)-O(1) bond length is 2.19 Å. The Sc(1)-O(11) bond length is 2.12 Å. The Sc(1)-O(4) bond length is 2.01 Å. The Sc(1)-O(5) bond length is 2.14 Å. The Sc(1)-O(8) bond length is 2.11 Å. The Sc(1)-O(9) bond length is 2.11 Å. In the second Sc site, Sc(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) 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 P(3)O4 tetrahedra. The Sc(2)-O(10) bond length is 2.10 Å. The Sc(2)-O(12) bond length is 2.14 Å. The Sc(2)-O(2) bond length is 2.16 Å. The Sc(2)-O(3) bond length is 2.09 Å. The Sc(2)-O(6) bond length is 2.16 Å. The Sc(2)-O(7) bond length is 2.03 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-42°. The P(1)-O(11) bond length is 1.55 Å. The P(1)-O(12) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(2), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-41°. The P(2)-O(2) bond length is 1.55 Å. The P(2)-O(5) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.54 Å. The P(2)-O(9) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. The P(3)-O(1) bond length is 1.56 Å. The P(3)-O(10) bond length is 1.54 Å. The P(3)-O(6) bond length is 1.55 Å. The P(3)-O(8) bond length is 1.56 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sc(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(3), one Sc(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Na(3), one Sc(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Sc(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Na(2), one Sc(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), one Sc(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Sc(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one Sc(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sc(2), and one P(1) atom.