LiVP3HO10 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O6 pentagonal pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O6 pentagonal pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. H(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom.
LiVP3HO10 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. Both Li(1)-O(1) bond lengths are 2.45 Å. Both Li(1)-O(2) bond lengths are 2.56 Å. Both Li(1)-O(3) bond lengths are 2.44 Å. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O6 pentagonal pyramids. Both V(1)-O(1) bond lengths are 2.07 Å. Both V(1)-O(2) bond lengths are 2.07 Å. Both V(1)-O(4) bond lengths are 1.99 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O6 pentagonal pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 47-52°. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.62 Å. In the second P site, P(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. Both P(2)-O(4) bond lengths are 1.51 Å. Both P(2)-O(5) bond lengths are 1.58 Å. H(1) is bonded in a linear geometry to two equivalent O(3) atoms. Both H(1)-O(3) bond lengths are 1.23 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom.