The compound described by Li3VCr3O8 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(12), one O(16), one O(5), 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), 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 Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)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 4-10°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(14), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one V(2)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,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(12), one O(14), one O(4), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(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 4-11°. In the fifth Li site, Li(5) is bonded to one O(13), one O(15), one O(2), 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the sixth Li site, Li(6) is bonded to one O(14), one O(15), one O(16), one O(6), 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(7) 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(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second V site, V(2) is bonded to one O(10), one O(14), one O(16), one O(5), one O(7), 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,  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(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), 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(3)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 V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Cr site, Cr(2) is bonded to one O(11), one O(15), one O(2), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)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(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Cr site, Cr(3) is bonded to one O(1), one O(12), one O(15), one O(16), one O(4), and one O(9) atom to form CrO6 octahedra that share  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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(13), one O(3), 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(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(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(13), one O(16), one O(2), one O(5), and one O(8) atom to form CrO6 octahedra that share  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(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the sixth Cr site, Cr(6) is bonded to one O(13), one O(14), one O(15), one O(2), one O(6), 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,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Cr(1), one Cr(3), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid, edges with two equivalent O(8)Li3Cr3 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, and edges with two equivalent O(12)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Cr(2), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with two equivalent O(11)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(8)Li3Cr3 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid, and  an edgeedge with one O(5)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(2), and one Cr(4) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(13)Li2Cr3 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid, and edges with two equivalent O(11)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one V(1), one Cr(2), and one Cr(3) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid, and  an edgeedge with one O(12)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one V(2), one Cr(4), and one Cr(5) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Li(6), one V(1), one Cr(4), and one Cr(6) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid, edges with two equivalent O(14)Li3V2Cr octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, and edges with two equivalent O(13)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the seventh O site, O(7) is bonded to one Li(4), one Li(6), one V(1), one V(2), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(16)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(14)Li3V2Cr octahedra,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 7°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(5), one Cr(1), one Cr(2), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, edges with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid, and edges with two equivalent O(2)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the ninth O site, O(9) is bonded to one Li(1), one Li(6), one V(2), one Cr(3), and one Cr(6) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid, corners with two equivalent O(12)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid, and edges with two equivalent O(16)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 4-7°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one V(2), one Cr(1), and one Cr(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid, and  an edgeedge with one O(5)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 2°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(1), one Cr(2), and one Cr(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(2)Li2Cr3 square pyramids,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid, and edges with two equivalent O(3)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(4), one V(1), one Cr(1), and one Cr(3) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(9)Li2VCr2 square pyramids,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra, edges with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid, and  an edgeedge with one O(4)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(5), one Cr(4), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with two equivalent O(3)Li2Cr3 square pyramids,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra, edges with two equivalent O(6)Li3VCr2 octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid, and  an edgeedge with one O(5)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 4°. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one Li(6), one V(1), one V(2), and one Cr(6) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, edges with two equivalent O(6)Li3VCr2 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, and edges with two equivalent O(7)Li2V2Cr square pyramids. The corner-sharing octahedral tilt angles are 2°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(6), one Cr(2), one Cr(3), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 2°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(6), one V(2), one Cr(3), and one Cr(5) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(7)Li2V2Cr square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid, and edges with two equivalent O(9)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. is represented by the CIF card [CIF]
data_Li3VCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   7.842
_cell_length_c   7.868
_cell_angle_alpha   94.380
_cell_angle_beta   109.145
_cell_angle_gamma   96.071
_symmetry_Int_Tables_number   1
_cell_volume   298.863
_cell_formula_units_Z   2
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  0.003  0.999  0.002  1.0
  Li  Li1  1  0.746  0.256  0.752  1.0
  Li  Li2  1  0.493  0.488  0.498  1.0
  Li  Li3  1  0.625  0.874  0.630  1.0
  Li  Li4  1  0.127  0.377  0.122  1.0
  Li  Li5  1  0.247  0.751  0.243  1.0
  V  V6  1  0.056  0.684  0.571  1.0
  V  V7  1  0.805  0.940  0.313  1.0
  Cr  Cr8  1  0.198  0.063  0.685  1.0
  Cr  Cr9  1  0.314  0.440  0.815  1.0
  Cr  Cr10  1  0.442  0.812  0.938  1.0
  Cr  Cr11  1  0.940  0.311  0.432  1.0
  Cr  Cr12  1  0.554  0.188  0.063  1.0
  Cr  Cr13  1  0.695  0.563  0.186  1.0
  O  O14  1  0.574  0.030  0.848  1.0
  O  O15  1  0.689  0.400  0.974  1.0
  O  O16  1  0.321  0.285  0.604  1.0
  O  O17  1  0.431  0.658  0.718  1.0
  O  O18  1  0.930  0.150  0.218  1.0
  O  O19  1  0.078  0.531  0.352  1.0
  O  O20  1  0.185  0.886  0.475  1.0
  O  O21  1  0.171  0.220  0.897  1.0
  O  O22  1  0.833  0.795  0.115  1.0
  O  O23  1  0.814  0.087  0.521  1.0
  O  O24  1  0.924  0.474  0.641  1.0
  O  O25  1  0.060  0.847  0.774  1.0
  O  O26  1  0.562  0.353  0.274  1.0
  O  O27  1  0.680  0.723  0.406  1.0
  O  O28  1  0.321  0.598  0.032  1.0
  O  O29  1  0.433  0.966  0.152  1.0
[/CIF]
.
The compound described by Li3VCr3O8 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(12), one O(16), one O(5), 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), 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 Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)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 4-10°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(14), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one V(2)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,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(12), one O(14), one O(4), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(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 4-11°. In the fifth Li site, Li(5) is bonded to one O(13), one O(15), one O(2), 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the sixth Li site, Li(6) is bonded to one O(14), one O(15), one O(16), one O(6), 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(7) 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(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second V site, V(2) is bonded to one O(10), one O(14), one O(16), one O(5), one O(7), 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,  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(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), 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(3)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 V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Cr site, Cr(2) is bonded to one O(11), one O(15), one O(2), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)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(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Cr site, Cr(3) is bonded to one O(1), one O(12), one O(15), one O(16), one O(4), and one O(9) atom to form CrO6 octahedra that share  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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(13), one O(3), 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(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(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(13), one O(16), one O(2), one O(5), and one O(8) atom to form CrO6 octahedra that share  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(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the sixth Cr site, Cr(6) is bonded to one O(13), one O(14), one O(15), one O(2), one O(6), 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,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Cr(1), one Cr(3), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid, edges with two equivalent O(8)Li3Cr3 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, and edges with two equivalent O(12)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Cr(2), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with two equivalent O(11)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(8)Li3Cr3 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid, and  an edgeedge with one O(5)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(2), and one Cr(4) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(13)Li2Cr3 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid, and edges with two equivalent O(11)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one V(1), one Cr(2), and one Cr(3) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid, and  an edgeedge with one O(12)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one V(2), one Cr(4), and one Cr(5) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Li(6), one V(1), one Cr(4), and one Cr(6) atom to form OLi3VCr2 octahedra that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid, edges with two equivalent O(14)Li3V2Cr octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, and edges with two equivalent O(13)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the seventh O site, O(7) is bonded to one Li(4), one Li(6), one V(1), one V(2), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(16)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra, edges with two equivalent O(14)Li3V2Cr octahedra,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 7°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(5), one Cr(1), one Cr(2), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, edges with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid, and edges with two equivalent O(2)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the ninth O site, O(9) is bonded to one Li(1), one Li(6), one V(2), one Cr(3), and one Cr(6) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(8)Li3Cr3 octahedra,  a cornercorner with one O(14)Li3V2Cr octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid, corners with two equivalent O(12)Li2VCr2 square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid, and edges with two equivalent O(16)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 4-7°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one V(2), one Cr(1), and one Cr(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(3)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid, and  an edgeedge with one O(5)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 2°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(1), one Cr(2), and one Cr(4) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(2)Li2Cr3 square pyramids,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid, and edges with two equivalent O(3)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(4), one V(1), one Cr(1), and one Cr(3) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(9)Li2VCr2 square pyramids,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra, edges with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(7)Li2V2Cr square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid, and  an edgeedge with one O(4)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(5), one Cr(4), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(16)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, corners with two equivalent O(3)Li2Cr3 square pyramids,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra, edges with two equivalent O(6)Li3VCr2 octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid, and  an edgeedge with one O(5)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 4°. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one Li(6), one V(1), one V(2), and one Cr(6) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid, edges with two equivalent O(6)Li3VCr2 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2VCr2 square pyramid,  an edgeedge with one O(11)Li2VCr2 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid,  an edgeedge with one O(9)Li2VCr2 square pyramid, and edges with two equivalent O(7)Li2V2Cr square pyramids. The corner-sharing octahedral tilt angles are 2°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(6), one Cr(2), one Cr(3), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(3)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2V2Cr square pyramid,  a cornercorner with one O(11)Li2VCr2 square pyramid,  a cornercorner with one O(12)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid,  a cornercorner with one O(9)Li2VCr2 square pyramid,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(6)Li3VCr2 octahedra,  an edgeedge with one O(13)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(16)Li2VCr2 square pyramid,  an edgeedge with one O(4)Li2VCr2 square pyramid, and  an edgeedge with one O(9)Li2VCr2 square pyramid. The corner-sharing octahedral tilt angles are 2°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(6), one V(2), one Cr(3), and one Cr(5) atom to form OLi2VCr2 square pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(6)Li3VCr2 octahedra,  a cornercorner with one O(13)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(10)Li2VCr2 square pyramid,  a cornercorner with one O(4)Li2VCr2 square pyramid,  a cornercorner with one O(5)Li2VCr2 square pyramid, corners with two equivalent O(7)Li2V2Cr square pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(8)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3V2Cr octahedra,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(12)Li2VCr2 square pyramid,  an edgeedge with one O(5)Li2VCr2 square pyramid, and edges with two equivalent O(9)Li2VCr2 square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. is represented by the CIF card [CIF]
data_Li3VCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   7.842
_cell_length_c   7.868
_cell_angle_alpha   94.380
_cell_angle_beta   109.145
_cell_angle_gamma   96.071
_symmetry_Int_Tables_number   1
_cell_volume   298.863
_cell_formula_units_Z   2
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  0.003  0.999  0.002  1.0
  Li  Li1  1  0.746  0.256  0.752  1.0
  Li  Li2  1  0.493  0.488  0.498  1.0
  Li  Li3  1  0.625  0.874  0.630  1.0
  Li  Li4  1  0.127  0.377  0.122  1.0
  Li  Li5  1  0.247  0.751  0.243  1.0
  V  V6  1  0.056  0.684  0.571  1.0
  V  V7  1  0.805  0.940  0.313  1.0
  Cr  Cr8  1  0.198  0.063  0.685  1.0
  Cr  Cr9  1  0.314  0.440  0.815  1.0
  Cr  Cr10  1  0.442  0.812  0.938  1.0
  Cr  Cr11  1  0.940  0.311  0.432  1.0
  Cr  Cr12  1  0.554  0.188  0.063  1.0
  Cr  Cr13  1  0.695  0.563  0.186  1.0
  O  O14  1  0.574  0.030  0.848  1.0
  O  O15  1  0.689  0.400  0.974  1.0
  O  O16  1  0.321  0.285  0.604  1.0
  O  O17  1  0.431  0.658  0.718  1.0
  O  O18  1  0.930  0.150  0.218  1.0
  O  O19  1  0.078  0.531  0.352  1.0
  O  O20  1  0.185  0.886  0.475  1.0
  O  O21  1  0.171  0.220  0.897  1.0
  O  O22  1  0.833  0.795  0.115  1.0
  O  O23  1  0.814  0.087  0.521  1.0
  O  O24  1  0.924  0.474  0.641  1.0
  O  O25  1  0.060  0.847  0.774  1.0
  O  O26  1  0.562  0.353  0.274  1.0
  O  O27  1  0.680  0.723  0.406  1.0
  O  O28  1  0.321  0.598  0.032  1.0
  O  O29  1  0.433  0.966  0.152  1.0
[/CIF]
.