LiVSn3(PO4)6 crystallizes in the trigonal R3 space group. Li(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(2) and three equivalent O(6) atoms. V(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Sn site, Sn(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra, and  a cornercorner with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-39°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra, and  a cornercorner with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-33°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(1) atom.
LiVSn3(PO4)6 crystallizes in the trigonal R3 space group. Li(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(2) and three equivalent O(6) atoms. All Li(1)-O(2) bond lengths are 2.46 Å. All Li(1)-O(6) bond lengths are 2.48 Å. V(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. All V(1)-O(4) bond lengths are 1.88 Å. All V(1)-O(6) bond lengths are 1.92 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. All Sn(1)-O(2) bond lengths are 2.06 Å. All Sn(1)-O(5) bond lengths are 2.01 Å. In the second Sn site, Sn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. All Sn(2)-O(1) bond lengths are 2.08 Å. All Sn(2)-O(3) bond lengths are 2.06 Å. In the third Sn site, Sn(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. All Sn(3)-O(7) bond lengths are 2.02 Å. All Sn(3)-O(8) bond lengths are 2.03 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra, and  a cornercorner with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-39°. 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 1.57 Å. The P(1)-O(8) bond length is 1.52 Å. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra, and  a cornercorner with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-33°. The P(2)-O(1) bond length is 1.54 Å. The P(2)-O(5) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.57 Å. The P(2)-O(7) bond length is 1.52 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(1) atom.