LiV3P5O19 crystallizes in the monoclinic Cm space group. The structure consists of two 7439-93-2 atoms inside a V3P5O19 framework. In the V3P5O19 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent O(10), and two equivalent O(5) atoms 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. In the second V site, V(2) is bonded to one O(11), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 29°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the second P site, P(2) is bonded to one O(11), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-48°. In the third P site, P(3) is bonded to one O(10), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-42°. There are eleven inequivalent O sites. In the first O site, O(9) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the second O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the third O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a linear geometry to one V(2) and one P(3) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eighth O site, O(5) is bonded in a linear geometry to one V(1) and one P(2) atom. In the ninth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(3) atom. In the tenth O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the eleventh O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom.
LiV3P5O19 crystallizes in the monoclinic Cm space group. The structure consists of two 7439-93-2 atoms inside a V3P5O19 framework. In the V3P5O19 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent O(10), and two equivalent O(5) atoms 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 1.94 Å. The V(1)-O(2) bond length is 1.98 Å. Both V(1)-O(10) bond lengths are 1.93 Å. Both V(1)-O(5) bond lengths are 1.93 Å. In the second V site, V(2) is bonded to one O(11), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 29°. The V(2)-O(11) bond length is 2.00 Å. The V(2)-O(3) bond length is 1.93 Å. The V(2)-O(4) bond length is 1.94 Å. The V(2)-O(6) bond length is 2.06 Å. The V(2)-O(8) bond length is 1.97 Å. The V(2)-O(9) bond length is 1.80 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.55 Å. Both P(1)-O(4) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(11), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-48°. The P(2)-O(11) bond length is 1.54 Å. The P(2)-O(5) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.61 Å. The P(2)-O(8) bond length is 1.51 Å. In the third P site, P(3) is bonded to one O(10), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-42°. The P(3)-O(10) bond length is 1.53 Å. The P(3)-O(3) bond length is 1.52 Å. The P(3)-O(6) bond length is 1.51 Å. The P(3)-O(7) bond length is 1.62 Å. There are eleven inequivalent O sites. In the first O site, O(9) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the second O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the third O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a linear geometry to one V(2) and one P(3) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eighth O site, O(5) is bonded in a linear geometry to one V(1) and one P(2) atom. In the ninth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(3) atom. In the tenth O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the eleventh O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom.