LiVP2(HO4)2 crystallizes in the orthorhombic P2_12_12 space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom.
LiVP2(HO4)2 crystallizes in the orthorhombic P2_12_12 space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. Both Li(1)-O(1) bond lengths are 1.99 Å. Both Li(1)-O(4) bond lengths are 2.14 Å. V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Both V(1)-O(2) bond lengths are 2.11 Å. Both V(1)-O(3) bond lengths are 2.01 Å. Both V(1)-O(4) bond lengths are 2.06 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. The P(1)-O(1) bond length is 1.60 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.54 Å. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. The H(1)-O(1) bond length is 1.01 Å. The H(1)-O(2) bond length is 1.66 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom.