Li2VCAsO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one C(1) atom to form distorted edge-sharing OLi2VC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), and one C(1) atom to form distorted edge-sharing OLi2VC tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one As(1) atom.
Li2VCAsO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. The Li(1)-O(1) bond length is 2.03 Å. The Li(1)-O(2) bond length is 2.25 Å. The Li(1)-O(3) bond length is 2.30 Å. The Li(1)-O(4) bond length is 2.36 Å. The Li(1)-O(6) bond length is 2.14 Å. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. The V(1)-O(2) bond length is 2.11 Å. The V(1)-O(3) bond length is 2.09 Å. The V(1)-O(4) bond length is 2.01 Å. The V(1)-O(5) bond length is 2.09 Å. Both V(1)-O(6) bond lengths are 1.98 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 1.27 Å. The C(1)-O(2) bond length is 1.32 Å. The C(1)-O(3) bond length is 1.33 Å. As(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. The As(1)-O(4) bond length is 1.73 Å. The As(1)-O(5) bond length is 1.72 Å. Both As(1)-O(6) bond lengths are 1.71 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one C(1) atom to form distorted edge-sharing OLi2VC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), and one C(1) atom to form distorted edge-sharing OLi2VC tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one As(1) atom.