LiV2CrO6 is Corundum-derived structured and crystallizes in the trigonal R3 space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LiO6 pentagonal pyramids that share corners with three equivalent V(2)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, edges with three equivalent Li(1)O6 pentagonal pyramids, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. In the second V site, V(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O6 pentagonal pyramids, edges with three equivalent Cr(1)O6 octahedra, and  a faceface with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 38-45°. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with six equivalent Li(1)O6 pentagonal pyramids, edges with three equivalent V(2)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OLiV2Cr trigonal pyramids. 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.
LiV2CrO6 is Corundum-derived structured and crystallizes in the trigonal R3 space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LiO6 pentagonal pyramids that share corners with three equivalent V(2)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. All Li(1)-O(1) bond lengths are 2.24 Å. All Li(1)-O(2) bond lengths are 2.09 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, edges with three equivalent Li(1)O6 pentagonal pyramids, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. All V(1)-O(1) bond lengths are 1.97 Å. All V(1)-O(2) bond lengths are 2.13 Å. In the second V site, V(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O6 pentagonal pyramids, edges with three equivalent Cr(1)O6 octahedra, and  a faceface with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 38-45°. All V(2)-O(1) bond lengths are 2.00 Å. All V(2)-O(2) bond lengths are 1.85 Å. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with six equivalent Li(1)O6 pentagonal pyramids, edges with three equivalent V(2)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Cr(1)-O(1) bond lengths are 1.98 Å. All Cr(1)-O(2) bond lengths are 2.05 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OLiV2Cr trigonal pyramids. 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.