The compound described by Li2VCrO4 is alpha Po-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(2), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the fourth Li site, Li(4) is bonded to one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the fifth Li site, Li(5) is bonded to one O(10), one O(12), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(4) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third V site, V(3) is bonded to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent Cr sites. In the first Cr site, 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Cr site, Cr(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Cr site, Cr(3) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Cr(1), and one Cr(3) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(10)Li3V2Cr octahedra,  an edgeedge with one O(12)Li3V2Cr octahedra,  an edgeedge with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(11)Li3V2Cr octahedra, edges with two equivalent O(2)Li3VCr2 octahedra, edges with two equivalent O(3)Li3VCr2 octahedra, and edges with two equivalent O(4)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(6), one V(1), one Cr(1), and one Cr(3) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(10)Li3V2Cr octahedra,  an edgeedge with one O(9)Li3V2Cr octahedra,  an edgeedge with one O(3)Li3VCr2 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(11)Li3V2Cr octahedra, edges with two equivalent O(12)Li3V2Cr octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, and edges with two equivalent O(4)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one V(1), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(11)Li3V2Cr octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with two equivalent O(4)Li3VCr2 octahedra, edges with two equivalent O(5)Li3VCr2 octahedra, and edges with two equivalent O(6)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(11)Li3V2Cr octahedra,  an edgeedge with one O(12)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra,  an edgeedge with one O(5)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with two equivalent O(2)Li3VCr2 octahedra, edges with two equivalent O(3)Li3VCr2 octahedra, and edges with two equivalent O(6)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(5), one V(2), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(10)Li3V2Cr octahedra,  an edgeedge with one O(9)Li3V2Cr octahedra,  an edgeedge with one O(1)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra, edges with two equivalent O(3)Li3VCr2 octahedra, and edges with two equivalent O(6)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one V(2), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(9)Li3V2Cr octahedra,  an edgeedge with one O(1)Li3VCr2 octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra, edges with two equivalent O(8)Li3V2Cr octahedra, edges with two equivalent O(3)Li3VCr2 octahedra, edges with two equivalent O(4)Li3VCr2 octahedra, and edges with two equivalent O(5)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(4), one Li(5), one Li(6), one V(2), one V(3), and one Cr(2) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(11)Li3V2Cr octahedra,  an edgeedge with one O(12)Li3V2Cr octahedra,  an edgeedge with one O(3)Li3VCr2 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(10)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra, edges with two equivalent O(9)Li3V2Cr octahedra, and edges with two equivalent O(5)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Li(5), one V(2), one V(3), and one Cr(2) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(10)Li3V2Cr octahedra,  an edgeedge with one O(12)Li3V2Cr octahedra,  an edgeedge with one O(3)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, edges with two equivalent O(9)Li3V2Cr octahedra, edges with two equivalent O(5)Li3VCr2 octahedra, and edges with two equivalent O(6)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Li(4), one Li(5), one Li(6), one V(2), one V(3), and one Cr(3) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(11)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra,  an edgeedge with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(10)Li3V2Cr octahedra, edges with two equivalent O(12)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, and edges with two equivalent O(8)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), one Li(6), one V(2), one V(3), and one Cr(3) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra,  an edgeedge with one O(1)Li3VCr2 octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra,  an edgeedge with one O(5)Li3VCr2 octahedra, edges with two equivalent O(11)Li3V2Cr octahedra, edges with two equivalent O(12)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, and edges with two equivalent O(9)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(6), one V(1), one V(3), and one Cr(3) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(9)Li3V2Cr octahedra,  an edgeedge with one O(3)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(10)Li3V2Cr octahedra, edges with two equivalent O(12)Li3V2Cr octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, and edges with two equivalent O(2)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(5), one Li(6), one V(1), one V(3), and one Cr(3) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra,  an edgeedge with one O(1)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(10)Li3V2Cr octahedra, edges with two equivalent O(11)Li3V2Cr octahedra, edges with two equivalent O(9)Li3V2Cr octahedra, and edges with two equivalent O(2)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.160
_cell_length_b   5.179
_cell_length_c   8.950
_cell_angle_alpha   90.101
_cell_angle_beta   106.686
_cell_angle_gamma   99.489
_symmetry_Int_Tables_number   1
_cell_volume   225.664
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.002  0.008  0.001  1.0
  Li  Li1  1  0.002  0.495  0.167  1.0
  Li  Li2  1  0.999  0.001  0.332  1.0
  Li  Li3  1  0.998  0.502  0.496  1.0
  Li  Li4  1  0.999  0.999  0.667  1.0
  Li  Li5  1  0.001  0.495  0.836  1.0
  V  V6  1  0.500  0.750  0.082  1.0
  V  V7  1  0.500  0.251  0.584  1.0
  V  V8  1  0.501  0.749  0.751  1.0
  Cr  Cr9  1  0.500  0.251  0.249  1.0
  Cr  Cr10  1  0.500  0.751  0.415  1.0
  Cr  Cr11  1  0.500  0.249  0.919  1.0
  O  O12  1  0.728  0.128  0.122  1.0
  O  O13  1  0.272  0.372  0.045  1.0
  O  O14  1  0.723  0.620  0.286  1.0
  O  O15  1  0.277  0.881  0.212  1.0
  O  O16  1  0.724  0.121  0.453  1.0
  O  O17  1  0.274  0.383  0.377  1.0
  O  O18  1  0.727  0.620  0.618  1.0
  O  O19  1  0.275  0.879  0.545  1.0
  O  O20  1  0.273  0.378  0.714  1.0
  O  O21  1  0.728  0.118  0.792  1.0
  O  O22  1  0.727  0.618  0.955  1.0
  O  O23  1  0.272  0.881  0.881  1.0
[/CIF]
.
The compound described by Li2VCrO4 is alpha Po-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(2), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the fourth Li site, Li(4) is bonded to one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the fifth Li site, Li(5) is bonded to one O(10), one O(12), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(4) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third V site, V(3) is bonded to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent Cr sites. In the first Cr site, 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Cr site, Cr(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Cr site, Cr(3) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Cr(1), and one Cr(3) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(10)Li3V2Cr octahedra,  an edgeedge with one O(12)Li3V2Cr octahedra,  an edgeedge with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(11)Li3V2Cr octahedra, edges with two equivalent O(2)Li3VCr2 octahedra, edges with two equivalent O(3)Li3VCr2 octahedra, and edges with two equivalent O(4)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(6), one V(1), one Cr(1), and one Cr(3) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(10)Li3V2Cr octahedra,  an edgeedge with one O(9)Li3V2Cr octahedra,  an edgeedge with one O(3)Li3VCr2 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(11)Li3V2Cr octahedra, edges with two equivalent O(12)Li3V2Cr octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, and edges with two equivalent O(4)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one V(1), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(11)Li3V2Cr octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with two equivalent O(4)Li3VCr2 octahedra, edges with two equivalent O(5)Li3VCr2 octahedra, and edges with two equivalent O(6)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(11)Li3V2Cr octahedra,  an edgeedge with one O(12)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra,  an edgeedge with one O(5)Li3VCr2 octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, edges with two equivalent O(2)Li3VCr2 octahedra, edges with two equivalent O(3)Li3VCr2 octahedra, and edges with two equivalent O(6)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(5), one V(2), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(10)Li3V2Cr octahedra,  an edgeedge with one O(9)Li3V2Cr octahedra,  an edgeedge with one O(1)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra, edges with two equivalent O(3)Li3VCr2 octahedra, and edges with two equivalent O(6)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one V(2), one Cr(1), and one Cr(2) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(9)Li3V2Cr octahedra,  an edgeedge with one O(1)Li3VCr2 octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra, edges with two equivalent O(8)Li3V2Cr octahedra, edges with two equivalent O(3)Li3VCr2 octahedra, edges with two equivalent O(4)Li3VCr2 octahedra, and edges with two equivalent O(5)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(4), one Li(5), one Li(6), one V(2), one V(3), and one Cr(2) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(11)Li3V2Cr octahedra,  an edgeedge with one O(12)Li3V2Cr octahedra,  an edgeedge with one O(3)Li3VCr2 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(10)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra, edges with two equivalent O(9)Li3V2Cr octahedra, and edges with two equivalent O(5)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Li(5), one V(2), one V(3), and one Cr(2) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(10)Li3V2Cr octahedra,  an edgeedge with one O(12)Li3V2Cr octahedra,  an edgeedge with one O(3)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, edges with two equivalent O(9)Li3V2Cr octahedra, edges with two equivalent O(5)Li3VCr2 octahedra, and edges with two equivalent O(6)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Li(4), one Li(5), one Li(6), one V(2), one V(3), and one Cr(3) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(11)Li3V2Cr octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra,  an edgeedge with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(10)Li3V2Cr octahedra, edges with two equivalent O(12)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, and edges with two equivalent O(8)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), one Li(6), one V(2), one V(3), and one Cr(3) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra,  an edgeedge with one O(1)Li3VCr2 octahedra,  an edgeedge with one O(2)Li3VCr2 octahedra,  an edgeedge with one O(5)Li3VCr2 octahedra, edges with two equivalent O(11)Li3V2Cr octahedra, edges with two equivalent O(12)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, and edges with two equivalent O(9)Li3V2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(6), one V(1), one V(3), and one Cr(3) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(12)Li3V2Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(9)Li3V2Cr octahedra,  a cornercorner with one O(2)Li3VCr2 octahedra,  a cornercorner with one O(4)Li3VCr2 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(9)Li3V2Cr octahedra,  an edgeedge with one O(3)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(10)Li3V2Cr octahedra, edges with two equivalent O(12)Li3V2Cr octahedra, edges with two equivalent O(1)Li3VCr2 octahedra, and edges with two equivalent O(2)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(5), one Li(6), one V(1), one V(3), and one Cr(3) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li3V2Cr octahedra,  a cornercorner with one O(11)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li3VCr2 octahedra,  a cornercorner with one O(3)Li3VCr2 octahedra,  a cornercorner with one O(5)Li3VCr2 octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra,  an edgeedge with one O(1)Li3VCr2 octahedra,  an edgeedge with one O(4)Li3VCr2 octahedra, edges with two equivalent O(10)Li3V2Cr octahedra, edges with two equivalent O(11)Li3V2Cr octahedra, edges with two equivalent O(9)Li3V2Cr octahedra, and edges with two equivalent O(2)Li3VCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.160
_cell_length_b   5.179
_cell_length_c   8.950
_cell_angle_alpha   90.101
_cell_angle_beta   106.686
_cell_angle_gamma   99.489
_symmetry_Int_Tables_number   1
_cell_volume   225.664
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.002  0.008  0.001  1.0
  Li  Li1  1  0.002  0.495  0.167  1.0
  Li  Li2  1  0.999  0.001  0.332  1.0
  Li  Li3  1  0.998  0.502  0.496  1.0
  Li  Li4  1  0.999  0.999  0.667  1.0
  Li  Li5  1  0.001  0.495  0.836  1.0
  V  V6  1  0.500  0.750  0.082  1.0
  V  V7  1  0.500  0.251  0.584  1.0
  V  V8  1  0.501  0.749  0.751  1.0
  Cr  Cr9  1  0.500  0.251  0.249  1.0
  Cr  Cr10  1  0.500  0.751  0.415  1.0
  Cr  Cr11  1  0.500  0.249  0.919  1.0
  O  O12  1  0.728  0.128  0.122  1.0
  O  O13  1  0.272  0.372  0.045  1.0
  O  O14  1  0.723  0.620  0.286  1.0
  O  O15  1  0.277  0.881  0.212  1.0
  O  O16  1  0.724  0.121  0.453  1.0
  O  O17  1  0.274  0.383  0.377  1.0
  O  O18  1  0.727  0.620  0.618  1.0
  O  O19  1  0.275  0.879  0.545  1.0
  O  O20  1  0.273  0.378  0.714  1.0
  O  O21  1  0.728  0.118  0.792  1.0
  O  O22  1  0.727  0.618  0.955  1.0
  O  O23  1  0.272  0.881  0.881  1.0
[/CIF]
.