LiVBO4 crystallizes in the orthorhombic Ccc2 space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), and two equivalent O(4) atoms. V(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted corner-sharing VO5 trigonal bipyramids. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent V(1) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one B(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(1) atom.
LiVBO4 crystallizes in the orthorhombic Ccc2 space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), and two equivalent O(4) atoms. The Li(1)-O(2) bond length is 2.02 Å. The Li(1)-O(3) bond length is 1.96 Å. There is one shorter (1.99 Å) and one longer (2.02 Å) Li(1)-O(4) bond length. V(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted corner-sharing VO5 trigonal bipyramids. The V(1)-O(2) bond length is 1.98 Å. The V(1)-O(3) bond length is 1.98 Å. The V(1)-O(4) bond length is 1.67 Å. There is one shorter (1.98 Å) and one longer (2.06 Å) V(1)-O(1) bond length. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.42 Å. The B(1)-O(2) bond length is 1.36 Å. The B(1)-O(3) bond length is 1.38 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent V(1) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one B(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(1) atom.