LiVP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form LiO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form VO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, and corners with three equivalent V(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent V(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom.
LiVP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form LiO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. The Li(1)-O(1) bond length is 2.10 Å. The Li(1)-O(2) bond length is 2.22 Å. The Li(1)-O(3) bond length is 2.12 Å. The Li(1)-O(4) bond length is 1.91 Å. The Li(1)-O(5) bond length is 2.13 Å. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form VO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The V(1)-O(1) bond length is 2.05 Å. The V(1)-O(2) bond length is 1.97 Å. The V(1)-O(3) bond length is 1.95 Å. The V(1)-O(5) bond length is 2.02 Å. The V(1)-O(7) bond length is 1.99 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, and corners with three equivalent V(1)O5 trigonal bipyramids. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.52 Å. The P(1)-O(6) bond length is 1.58 Å. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent V(1)O5 trigonal bipyramids. The P(2)-O(2) bond length is 1.57 Å. The P(2)-O(4) bond length is 1.50 Å. The P(2)-O(6) bond length is 1.64 Å. The P(2)-O(7) bond length is 1.57 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom.