LiVP2O7 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(1) atoms. V(1) is bonded to one O(2), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. 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 three equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-50°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(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 bent 150 degrees geometry to one P(1) and one P(2) 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(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom.
LiVP2O7 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(1) atoms. The Li(1)-O(2) bond length is 2.08 Å. The Li(1)-O(4) bond length is 2.06 Å. There is one shorter (1.94 Å) and one longer (1.97 Å) Li(1)-O(1) bond length. V(1) is bonded to one O(2), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The V(1)-O(2) bond length is 2.10 Å. The V(1)-O(4) bond length is 2.00 Å. The V(1)-O(6) bond length is 1.96 Å. The V(1)-O(7) bond length is 1.99 Å. There is one shorter (2.07 Å) and one longer (2.11 Å) V(1)-O(5) bond length. 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 three equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-56°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.60 Å. The P(1)-O(5) bond length is 1.59 Å. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-50°. The P(2)-O(3) bond length is 1.61 Å. The P(2)-O(4) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.52 Å. The P(2)-O(7) bond length is 1.53 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(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 bent 150 degrees geometry to one P(1) and one P(2) 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(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom.