LiV2CrO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom.
LiV2CrO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Li(1)-O(1) bond length is 2.26 Å. The Li(1)-O(2) bond length is 2.30 Å. The Li(1)-O(3) bond length is 2.34 Å. The Li(1)-O(4) bond length is 2.09 Å. The Li(1)-O(5) bond length is 2.00 Å. The Li(1)-O(6) bond length is 2.06 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. The V(1)-O(1) bond length is 1.91 Å. The V(1)-O(2) bond length is 1.91 Å. The V(1)-O(3) bond length is 1.87 Å. The V(1)-O(4) bond length is 1.97 Å. The V(1)-O(5) bond length is 2.09 Å. The V(1)-O(6) bond length is 2.17 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. The V(2)-O(1) bond length is 2.02 Å. The V(2)-O(2) bond length is 2.07 Å. The V(2)-O(3) bond length is 2.05 Å. The V(2)-O(4) bond length is 1.97 Å. The V(2)-O(5) bond length is 1.92 Å. The V(2)-O(6) bond length is 1.82 Å. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. The Cr(1)-O(1) bond length is 2.03 Å. The Cr(1)-O(2) bond length is 1.99 Å. The Cr(1)-O(3) bond length is 2.02 Å. The Cr(1)-O(4) bond length is 2.02 Å. The Cr(1)-O(5) bond length is 2.00 Å. The Cr(1)-O(6) bond length is 2.03 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom.