LiVBO4 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent B(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with three equivalent B(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form distorted VO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent B(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent B(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent V(2)O4 tetrahedra. In the second B site, B(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with three equivalent V(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one B(1) 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 B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one B(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one B(1) atom.
LiVBO4 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent B(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(3) bond length is 1.98 Å. The Li(1)-O(5) bond length is 1.96 Å. The Li(1)-O(8) bond length is 2.14 Å. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with three equivalent B(2)O4 tetrahedra. The Li(2)-O(2) bond length is 1.99 Å. The Li(2)-O(4) bond length is 1.98 Å. The Li(2)-O(6) bond length is 2.05 Å. The Li(2)-O(7) bond length is 2.01 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form distorted VO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent B(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The V(1)-O(2) bond length is 1.83 Å. The V(1)-O(5) bond length is 1.85 Å. The V(1)-O(7) bond length is 1.83 Å. The V(1)-O(8) bond length is 1.82 Å. In the second V site, V(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent B(1)O4 tetrahedra. The V(2)-O(1) bond length is 1.81 Å. The V(2)-O(3) bond length is 1.84 Å. The V(2)-O(4) bond length is 1.85 Å. The V(2)-O(6) bond length is 1.81 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent V(2)O4 tetrahedra. The B(1)-O(1) bond length is 1.48 Å. The B(1)-O(3) bond length is 1.47 Å. The B(1)-O(4) bond length is 1.49 Å. The B(1)-O(8) bond length is 1.49 Å. In the second B site, B(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with three equivalent V(1)O4 tetrahedra. The B(2)-O(2) bond length is 1.48 Å. The B(2)-O(5) bond length is 1.48 Å. The B(2)-O(6) bond length is 1.50 Å. The B(2)-O(7) bond length is 1.47 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one B(1) 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 B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one B(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one B(1) atom.