LiVSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent V(1)O6 octahedra. Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. There are three 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 corner and edge-sharing OLiV2Si trigonal pyramids. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom.
LiVSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Li(1)-O(1) bond lengths are 2.02 Å. Both Li(1)-O(2) bond lengths are 2.48 Å. Both Li(1)-O(3) bond lengths are 2.16 Å. V(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent V(1)O6 octahedra. Both V(1)-O(3) bond lengths are 1.92 Å. All V(1)-O(1) bond lengths are 2.08 Å. Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. The Si(1)-O(1) bond length is 1.63 Å. The Si(1)-O(3) bond length is 1.60 Å. There is one shorter (1.62 Å) and one longer (1.63 Å) Si(1)-O(2) bond length. There are three 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 corner and edge-sharing OLiV2Si trigonal pyramids. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom.