LiVSiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Si(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Si(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent V(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiV2Si tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Si(1) atoms.
LiVSiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. Both Li(1)-O(1) bond lengths are 1.95 Å. Both Li(1)-O(2) bond lengths are 2.06 Å. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Si(1)O6 octahedra. Both V(1)-O(2) bond lengths are 2.10 Å. All V(1)-O(1) bond lengths are 2.01 Å. Si(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Si(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. Both Si(1)-O(1) bond lengths are 1.80 Å. All Si(1)-O(2) bond lengths are 1.84 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent V(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiV2Si tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Si(1) atoms.