LiVP3HO10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), and one O(7) atom. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 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(1), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-48°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)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 43-45°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-48°. H(1) is bonded in a linear geometry to one O(5) and one O(6) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one P(3), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one P(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(3) atom.
LiVP3HO10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), and one O(7) atom. The Li(1)-O(4) bond length is 2.51 Å. The Li(1)-O(5) bond length is 2.14 Å. The Li(1)-O(6) bond length is 1.97 Å. The Li(1)-O(7) bond length is 2.41 Å. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 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 V(1)-O(1) bond length is 2.01 Å. The V(1)-O(10) bond length is 2.04 Å. The V(1)-O(2) bond length is 2.03 Å. The V(1)-O(3) bond length is 2.05 Å. The V(1)-O(8) bond length is 2.05 Å. The V(1)-O(9) bond length is 1.99 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-48°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.67 Å. The P(1)-O(6) bond length is 1.54 Å. The P(1)-O(9) bond length is 1.51 Å. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)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 43-45°. The P(2)-O(3) bond length is 1.50 Å. The P(2)-O(4) bond length is 1.61 Å. The P(2)-O(7) bond length is 1.64 Å. The P(2)-O(8) bond length is 1.50 Å. In the third P site, P(3) is bonded to one O(10), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-48°. The P(3)-O(10) bond length is 1.51 Å. The P(3)-O(2) bond length is 1.49 Å. The P(3)-O(5) bond length is 1.60 Å. The P(3)-O(7) bond length is 1.64 Å. H(1) is bonded in a linear geometry to one O(5) and one O(6) atom. The H(1)-O(5) bond length is 1.04 Å. The H(1)-O(6) bond length is 1.59 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one P(3), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one P(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(3) atom.