LiV(PO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(18), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second V site, V(2) is bonded to one O(11), one O(13), one O(15), one O(17), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(15), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second P site, P(2) is bonded to one O(16), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the third P site, P(3) is bonded to one O(18), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fourth P site, P(4) is bonded to one O(17), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(2), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the sixth P site, P(6) is bonded to one O(1), one O(11), one O(13), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(3) and one P(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one V(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(1) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one V(2) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one V(1) and one P(3) atom.
LiV(PO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(7), and one O(9) atom. The Li(1)-O(11) bond length is 2.02 Å. The Li(1)-O(7) bond length is 2.01 Å. The Li(1)-O(9) bond length is 2.01 Å. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(8) atom. The Li(2)-O(10) bond length is 2.01 Å. The Li(2)-O(12) bond length is 2.01 Å. The Li(2)-O(8) bond length is 2.01 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(18), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. The V(1)-O(10) bond length is 2.19 Å. The V(1)-O(12) bond length is 2.19 Å. The V(1)-O(14) bond length is 2.14 Å. The V(1)-O(16) bond length is 2.14 Å. The V(1)-O(18) bond length is 2.14 Å. The V(1)-O(8) bond length is 2.19 Å. In the second V site, V(2) is bonded to one O(11), one O(13), one O(15), one O(17), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. The V(2)-O(11) bond length is 2.19 Å. The V(2)-O(13) bond length is 2.14 Å. The V(2)-O(15) bond length is 2.13 Å. The V(2)-O(17) bond length is 2.13 Å. The V(2)-O(7) bond length is 2.19 Å. The V(2)-O(9) bond length is 2.19 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(15), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. The P(1)-O(1) bond length is 1.63 Å. The P(1)-O(10) bond length is 1.51 Å. The P(1)-O(15) bond length is 1.49 Å. The P(1)-O(3) bond length is 1.61 Å. In the second P site, P(2) is bonded to one O(16), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. The P(2)-O(16) bond length is 1.49 Å. The P(2)-O(2) bond length is 1.63 Å. The P(2)-O(4) bond length is 1.61 Å. The P(2)-O(9) bond length is 1.51 Å. In the third P site, P(3) is bonded to one O(18), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. The P(3)-O(18) bond length is 1.49 Å. The P(3)-O(3) bond length is 1.63 Å. The P(3)-O(6) bond length is 1.61 Å. The P(3)-O(7) bond length is 1.51 Å. In the fourth P site, P(4) is bonded to one O(17), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. The P(4)-O(17) bond length is 1.49 Å. The P(4)-O(4) bond length is 1.63 Å. The P(4)-O(5) bond length is 1.61 Å. The P(4)-O(8) bond length is 1.51 Å. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(2), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. The P(5)-O(12) bond length is 1.51 Å. The P(5)-O(14) bond length is 1.49 Å. The P(5)-O(2) bond length is 1.61 Å. The P(5)-O(5) bond length is 1.63 Å. In the sixth P site, P(6) is bonded to one O(1), one O(11), one O(13), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. The P(6)-O(1) bond length is 1.61 Å. The P(6)-O(11) bond length is 1.51 Å. The P(6)-O(13) bond length is 1.49 Å. The P(6)-O(6) bond length is 1.63 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(3) and one P(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one V(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(1) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one V(2) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one V(1) and one P(3) atom.