Li3V4SnO12 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-65°. In the third V site, V(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-64°. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. Sn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted SnO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(3), one V(2), one V(3), and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(3), one V(2), one V(3), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(3), one V(2), one V(4), and one Sn(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one V(1), one V(4), and one Sn(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one V(2), one V(3), and one Sn(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(3), one V(1), one V(3), and one Sn(1) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one V(2), and one V(3) atom.
Li3V4SnO12 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. The Li(1)-O(10) bond length is 2.05 Å. The Li(1)-O(12) bond length is 2.07 Å. The Li(1)-O(2) bond length is 2.07 Å. The Li(1)-O(3) bond length is 2.20 Å. The Li(1)-O(5) bond length is 2.26 Å. The Li(1)-O(6) bond length is 2.26 Å. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. The Li(2)-O(10) bond length is 2.23 Å. The Li(2)-O(2) bond length is 2.21 Å. The Li(2)-O(5) bond length is 2.14 Å. The Li(2)-O(6) bond length is 2.07 Å. The Li(2)-O(8) bond length is 2.16 Å. The Li(2)-O(9) bond length is 2.09 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. The Li(3)-O(1) bond length is 2.08 Å. The Li(3)-O(11) bond length is 2.11 Å. The Li(3)-O(12) bond length is 2.32 Å. The Li(3)-O(3) bond length is 2.08 Å. The Li(3)-O(4) bond length is 2.24 Å. The Li(3)-O(7) bond length is 2.24 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. The V(1)-O(10) bond length is 2.28 Å. The V(1)-O(11) bond length is 1.96 Å. The V(1)-O(2) bond length is 1.84 Å. The V(1)-O(3) bond length is 1.73 Å. The V(1)-O(5) bond length is 1.76 Å. The V(1)-O(8) bond length is 2.19 Å. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-65°. The V(2)-O(1) bond length is 1.94 Å. The V(2)-O(12) bond length is 2.10 Å. The V(2)-O(4) bond length is 2.04 Å. The V(2)-O(6) bond length is 1.75 Å. The V(2)-O(7) bond length is 2.15 Å. The V(2)-O(9) bond length is 1.97 Å. In the third V site, V(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-64°. The V(3)-O(1) bond length is 2.14 Å. The V(3)-O(11) bond length is 2.14 Å. The V(3)-O(12) bond length is 1.74 Å. The V(3)-O(2) bond length is 1.96 Å. The V(3)-O(4) bond length is 2.00 Å. The V(3)-O(9) bond length is 2.04 Å. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. The V(4)-O(10) bond length is 1.72 Å. The V(4)-O(3) bond length is 2.18 Å. The V(4)-O(5) bond length is 2.05 Å. The V(4)-O(6) bond length is 2.01 Å. The V(4)-O(7) bond length is 1.98 Å. The V(4)-O(8) bond length is 1.97 Å. Sn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted SnO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. The Sn(1)-O(1) bond length is 2.15 Å. The Sn(1)-O(11) bond length is 2.13 Å. The Sn(1)-O(4) bond length is 2.06 Å. The Sn(1)-O(7) bond length is 2.05 Å. The Sn(1)-O(8) bond length is 2.03 Å. The Sn(1)-O(9) bond length is 2.14 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(3), one V(2), one V(3), and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(3), one V(2), one V(3), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(3), one V(2), one V(4), and one Sn(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one V(1), one V(4), and one Sn(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one V(2), one V(3), and one Sn(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(3), one V(1), one V(3), and one Sn(1) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one V(2), and one V(3) atom.