LiVSiCO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(4) atoms. V(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-41°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Li(1) and one C(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom.
LiVSiCO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(4) atoms. The Li(1)-O(1) bond length is 2.06 Å. The Li(1)-O(2) bond length is 2.03 Å. Both Li(1)-O(4) bond lengths are 2.15 Å. V(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. The V(1)-O(1) bond length is 2.04 Å. The V(1)-O(3) bond length is 2.00 Å. The V(1)-O(5) bond length is 1.80 Å. The V(1)-O(6) bond length is 1.78 Å. Both V(1)-O(4) bond lengths are 1.91 Å. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-41°. The Si(1)-O(5) bond length is 1.63 Å. The Si(1)-O(6) bond length is 1.65 Å. Both Si(1)-O(4) bond lengths are 1.63 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.34 Å. The C(1)-O(2) bond length is 1.24 Å. The C(1)-O(3) bond length is 1.32 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Li(1) and one C(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom.