LiVBO4 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with four equivalent B(1)O4 tetrahedra and corners with four equivalent V(1)O4 trigonal pyramids. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted VO4 trigonal pyramids that share corners with two equivalent B(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with two equivalent V(1)O4 trigonal pyramids. B(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with two equivalent V(1)O4 trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted 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 distorted trigonal planar 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 one Li(1) and two equivalent B(1) atoms.
LiVBO4 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with four equivalent B(1)O4 tetrahedra and corners with four equivalent V(1)O4 trigonal pyramids. The Li(1)-O(1) bond length is 2.08 Å. The Li(1)-O(2) bond length is 1.95 Å. The Li(1)-O(3) bond length is 1.99 Å. The Li(1)-O(4) bond length is 1.96 Å. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted VO4 trigonal pyramids that share corners with two equivalent B(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with two equivalent V(1)O4 trigonal pyramids. The V(1)-O(2) bond length is 1.82 Å. The V(1)-O(3) bond length is 1.81 Å. There is one shorter (1.82 Å) and one longer (1.90 Å) V(1)-O(1) bond length. B(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with two equivalent V(1)O4 trigonal pyramids. The B(1)-O(2) bond length is 1.49 Å. The B(1)-O(3) bond length is 1.51 Å. There is one shorter (1.46 Å) and one longer (1.50 Å) B(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted 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 distorted trigonal planar 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 one Li(1) and two equivalent B(1) atoms.