The material structure described by Li4V5Cr2O12 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)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 V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(3)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,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 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 V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the fourth Li site, Li(4) is bonded to one O(10), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)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 V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(5)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(3), one O(4), one O(7), and one O(8) 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(1)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 V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)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 3-10°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)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,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(3), one O(4), 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the second Cr site, Cr(2) is bonded to one O(10), one O(12), one O(2), one O(5), 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one V(2), one V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(3)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid, corners with two equivalent O(11)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids,  an edgeedge with one O(10)Li2V3Cr octahedra,  an edgeedge with one O(4)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra,  an edgeedge with one O(11)Li2V2Cr square pyramid, and  an edgeedge with one O(3)Li2V2Cr square pyramid. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to one Li(2), one V(1), one V(3), one V(5), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(12)LiV3Cr square pyramids,  an edgeedge with one O(6)Li2V3Cr octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra, edges with two equivalent O(10)Li2V3Cr octahedra, edges with two equivalent O(9)Li2V3Cr octahedra,  an edgeedge with one O(12)LiV3Cr square pyramid, and  an edgeedge with one O(5)LiV3Cr square pyramid. The corner-sharing octahedral tilt angles range from 2-13°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one V(2), one V(4), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid, corners with two equivalent O(11)Li2V2Cr square pyramids, corners with two equivalent O(5)LiV3Cr square pyramids,  an edgeedge with one O(6)Li2V3Cr octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra, edges with two equivalent O(4)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra,  an edgeedge with one O(1)Li2V2Cr square pyramid, and  an edgeedge with one O(11)Li2V2Cr square pyramid. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one V(2), one V(4), and one Cr(1) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(3)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid,  an edgeedge with one O(6)Li2V3Cr octahedra,  an edgeedge with one O(9)Li2V3Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(5)LiV3Cr square pyramid, edges with two equivalent O(11)Li2V2Cr square pyramids, and edges with two equivalent O(3)Li2V2Cr square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the fifth O site, O(5) is bonded to one Li(1), one V(1), one V(4), one V(5), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV3Cr square pyramid, corners with two equivalent O(3)Li2V2Cr square pyramids, corners with two equivalent O(12)LiV3Cr square pyramids,  an edgeedge with one O(10)Li2V3Cr octahedra,  an edgeedge with one O(4)Li3V2Cr octahedra, edges with two equivalent O(6)Li2V3Cr octahedra, edges with two equivalent O(9)Li2V3Cr octahedra,  an edgeedge with one O(12)LiV3Cr square pyramid, and  an edgeedge with one O(2)LiV3Cr square pyramid. The corner-sharing octahedral tilt angles range from 1-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one V(1), one V(4), one V(5), and one Cr(2) atom to form OLi2V3Cr octahedra that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV3Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid,  an edgeedge with one O(4)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra, edges with two equivalent O(10)Li2V3Cr octahedra, edges with two equivalent O(9)Li2V3Cr octahedra,  an edgeedge with one O(3)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, edges with two equivalent O(12)LiV3Cr square pyramids, and edges with two equivalent O(5)LiV3Cr square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one V(2), one V(3), and one Cr(1) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(3)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid,  an edgeedge with one O(10)Li2V3Cr octahedra,  an edgeedge with one O(9)Li2V3Cr octahedra, edges with two equivalent O(4)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra,  an edgeedge with one O(3)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, edges with two equivalent O(1)Li2V2Cr square pyramids, and edges with two equivalent O(11)Li2V2Cr square pyramids. The corner-sharing octahedral tilt angles range from 1-5°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one V(2), one V(3), and one Cr(1) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV3Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid,  an edgeedge with one O(10)Li2V3Cr octahedra,  an edgeedge with one O(6)Li2V3Cr octahedra,  an edgeedge with one O(9)Li2V3Cr octahedra, edges with two equivalent O(4)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra,  an edgeedge with one O(11)Li2V2Cr square pyramid, edges with two equivalent O(1)Li2V2Cr square pyramids, and edges with two equivalent O(3)Li2V2Cr square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one V(1), one V(3), one V(5), and one Cr(2) atom to form OLi2V3Cr octahedra that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(3)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid,  an edgeedge with one O(4)Li3V2Cr octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra, edges with two equivalent O(10)Li2V3Cr octahedra, edges with two equivalent O(6)Li2V3Cr octahedra,  an edgeedge with one O(12)LiV3Cr square pyramid, edges with two equivalent O(2)LiV3Cr square pyramids, and edges with two equivalent O(5)LiV3Cr square pyramids. The corner-sharing octahedral tilt angles range from 3-6°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one V(1), one V(3), one V(5), and one Cr(2) atom to form OLi2V3Cr octahedra that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV3Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra, edges with two equivalent O(6)Li2V3Cr octahedra, edges with two equivalent O(9)Li2V3Cr octahedra,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(5)LiV3Cr square pyramid, edges with two equivalent O(12)LiV3Cr square pyramids, and edges with two equivalent O(2)LiV3Cr square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(2), one V(4), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(2)LiV3Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(3)Li2V2Cr square pyramids,  an edgeedge with one O(8)Li3V2Cr octahedra, edges with two equivalent O(4)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(3)Li2V2Cr square pyramid, and  an edgeedge with one O(12)LiV3Cr square pyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the twelfth O site, O(12) is bonded to one Li(2), one V(1), one V(4), one V(5), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(3)Li2V2Cr square pyramid, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(5)LiV3Cr square pyramids,  an edgeedge with one O(9)Li2V3Cr octahedra, edges with two equivalent O(10)Li2V3Cr octahedra, edges with two equivalent O(6)Li2V3Cr octahedra,  an edgeedge with one O(11)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, and  an edgeedge with one O(5)LiV3Cr square pyramid. The corner-sharing octahedral tilt angles range from 3-9°. is represented by the CIF card [CIF]
data_Li4V5Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.149
_cell_length_b   5.111
_cell_length_c   9.928
_cell_angle_alpha   78.057
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   454.151
_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  0.914  0.006  0.739  1.0
  Li  Li1  1  0.922  0.496  0.256  1.0
  Li  Li2  1  0.582  0.759  0.502  1.0
  Li  Li3  1  0.586  0.505  0.262  1.0
  Li  Li4  1  0.414  0.994  0.261  1.0
  Li  Li5  1  0.422  0.504  0.744  1.0
  Li  Li6  1  0.082  0.241  0.498  1.0
  Li  Li7  1  0.086  0.495  0.738  1.0
  V  V8  1  0.921  0.262  0.003  1.0
  V  V9  1  0.927  0.749  0.493  1.0
  V  V10  1  0.749  0.997  0.255  1.0
  V  V11  1  0.741  0.510  0.741  1.0
  V  V12  1  0.575  0.254  0.005  1.0
  V  V13  1  0.427  0.251  0.507  1.0
  V  V14  1  0.249  0.003  0.745  1.0
  V  V15  1  0.421  0.738  0.997  1.0
  V  V16  1  0.241  0.490  0.259  1.0
  V  V17  1  0.075  0.746  0.995  1.0
  Cr  Cr18  1  0.750  0.247  0.503  1.0
  Cr  Cr19  1  0.746  0.760  0.995  1.0
  Cr  Cr20  1  0.246  0.240  0.005  1.0
  Cr  Cr21  1  0.250  0.753  0.497  1.0
  O  O22  1  0.894  0.120  0.378  1.0
  O  O23  1  0.899  0.880  0.111  1.0
  O  O24  1  0.771  0.863  0.615  1.0
  O  O25  1  0.903  0.382  0.619  1.0
  O  O26  1  0.754  0.148  0.888  1.0
  O  O27  1  0.898  0.632  0.876  1.0
  O  O28  1  0.762  0.628  0.375  1.0
  O  O29  1  0.592  0.134  0.385  1.0
  O  O30  1  0.593  0.866  0.123  1.0
  O  O31  1  0.750  0.372  0.121  1.0
  O  O32  1  0.596  0.385  0.619  1.0
  O  O33  1  0.589  0.629  0.882  1.0
  O  O34  1  0.394  0.880  0.622  1.0
  O  O35  1  0.399  0.120  0.889  1.0
  O  O36  1  0.271  0.137  0.385  1.0
  O  O37  1  0.403  0.618  0.381  1.0
  O  O38  1  0.254  0.852  0.112  1.0
  O  O39  1  0.398  0.368  0.124  1.0
  O  O40  1  0.262  0.372  0.625  1.0
  O  O41  1  0.092  0.866  0.615  1.0
  O  O42  1  0.093  0.134  0.877  1.0
  O  O43  1  0.250  0.628  0.879  1.0
  O  O44  1  0.096  0.615  0.381  1.0
  O  O45  1  0.089  0.371  0.118  1.0
[/CIF]
.
The material structure described by Li4V5Cr2O12 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)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 V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(3)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,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 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 V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the fourth Li site, Li(4) is bonded to one O(10), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)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 V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(5)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(3), one O(4), one O(7), and one O(8) 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(1)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 V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)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 3-10°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)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,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(3), one O(4), 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the second Cr site, Cr(2) is bonded to one O(10), one O(12), one O(2), one O(5), 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(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one V(2), one V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(3)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid, corners with two equivalent O(11)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids,  an edgeedge with one O(10)Li2V3Cr octahedra,  an edgeedge with one O(4)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra,  an edgeedge with one O(11)Li2V2Cr square pyramid, and  an edgeedge with one O(3)Li2V2Cr square pyramid. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to one Li(2), one V(1), one V(3), one V(5), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(12)LiV3Cr square pyramids,  an edgeedge with one O(6)Li2V3Cr octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra, edges with two equivalent O(10)Li2V3Cr octahedra, edges with two equivalent O(9)Li2V3Cr octahedra,  an edgeedge with one O(12)LiV3Cr square pyramid, and  an edgeedge with one O(5)LiV3Cr square pyramid. The corner-sharing octahedral tilt angles range from 2-13°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one V(2), one V(4), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid, corners with two equivalent O(11)Li2V2Cr square pyramids, corners with two equivalent O(5)LiV3Cr square pyramids,  an edgeedge with one O(6)Li2V3Cr octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra, edges with two equivalent O(4)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra,  an edgeedge with one O(1)Li2V2Cr square pyramid, and  an edgeedge with one O(11)Li2V2Cr square pyramid. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one V(2), one V(4), and one Cr(1) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(3)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid,  an edgeedge with one O(6)Li2V3Cr octahedra,  an edgeedge with one O(9)Li2V3Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(5)LiV3Cr square pyramid, edges with two equivalent O(11)Li2V2Cr square pyramids, and edges with two equivalent O(3)Li2V2Cr square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the fifth O site, O(5) is bonded to one Li(1), one V(1), one V(4), one V(5), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV3Cr square pyramid, corners with two equivalent O(3)Li2V2Cr square pyramids, corners with two equivalent O(12)LiV3Cr square pyramids,  an edgeedge with one O(10)Li2V3Cr octahedra,  an edgeedge with one O(4)Li3V2Cr octahedra, edges with two equivalent O(6)Li2V3Cr octahedra, edges with two equivalent O(9)Li2V3Cr octahedra,  an edgeedge with one O(12)LiV3Cr square pyramid, and  an edgeedge with one O(2)LiV3Cr square pyramid. The corner-sharing octahedral tilt angles range from 1-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one V(1), one V(4), one V(5), and one Cr(2) atom to form OLi2V3Cr octahedra that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV3Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid,  an edgeedge with one O(4)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra, edges with two equivalent O(10)Li2V3Cr octahedra, edges with two equivalent O(9)Li2V3Cr octahedra,  an edgeedge with one O(3)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, edges with two equivalent O(12)LiV3Cr square pyramids, and edges with two equivalent O(5)LiV3Cr square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one V(2), one V(3), and one Cr(1) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(3)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid,  an edgeedge with one O(10)Li2V3Cr octahedra,  an edgeedge with one O(9)Li2V3Cr octahedra, edges with two equivalent O(4)Li3V2Cr octahedra, edges with two equivalent O(8)Li3V2Cr octahedra,  an edgeedge with one O(3)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, edges with two equivalent O(1)Li2V2Cr square pyramids, and edges with two equivalent O(11)Li2V2Cr square pyramids. The corner-sharing octahedral tilt angles range from 1-5°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one V(2), one V(3), and one Cr(1) atom to form OLi3V2Cr octahedra that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV3Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid,  an edgeedge with one O(10)Li2V3Cr octahedra,  an edgeedge with one O(6)Li2V3Cr octahedra,  an edgeedge with one O(9)Li2V3Cr octahedra, edges with two equivalent O(4)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra,  an edgeedge with one O(11)Li2V2Cr square pyramid, edges with two equivalent O(1)Li2V2Cr square pyramids, and edges with two equivalent O(3)Li2V2Cr square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one V(1), one V(3), one V(5), and one Cr(2) atom to form OLi2V3Cr octahedra that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(3)Li2V2Cr square pyramid,  a cornercorner with one O(12)LiV3Cr square pyramid,  an edgeedge with one O(4)Li3V2Cr octahedra,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra, edges with two equivalent O(10)Li2V3Cr octahedra, edges with two equivalent O(6)Li2V3Cr octahedra,  an edgeedge with one O(12)LiV3Cr square pyramid, edges with two equivalent O(2)LiV3Cr square pyramids, and edges with two equivalent O(5)LiV3Cr square pyramids. The corner-sharing octahedral tilt angles range from 3-6°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one V(1), one V(3), one V(5), and one Cr(2) atom to form OLi2V3Cr octahedra that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(11)Li2V2Cr square pyramid,  a cornercorner with one O(2)LiV3Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid,  an edgeedge with one O(7)Li3V2Cr octahedra,  an edgeedge with one O(8)Li3V2Cr octahedra, edges with two equivalent O(6)Li2V3Cr octahedra, edges with two equivalent O(9)Li2V3Cr octahedra,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(5)LiV3Cr square pyramid, edges with two equivalent O(12)LiV3Cr square pyramids, and edges with two equivalent O(2)LiV3Cr square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(2), one V(4), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(10)Li2V3Cr octahedra,  a cornercorner with one O(6)Li2V3Cr octahedra,  a cornercorner with one O(8)Li3V2Cr octahedra,  a cornercorner with one O(2)LiV3Cr square pyramid,  a cornercorner with one O(5)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(3)Li2V2Cr square pyramids,  an edgeedge with one O(8)Li3V2Cr octahedra, edges with two equivalent O(4)Li3V2Cr octahedra, edges with two equivalent O(7)Li3V2Cr octahedra,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(3)Li2V2Cr square pyramid, and  an edgeedge with one O(12)LiV3Cr square pyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the twelfth O site, O(12) is bonded to one Li(2), one V(1), one V(4), one V(5), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(9)Li2V3Cr octahedra,  a cornercorner with one O(4)Li3V2Cr octahedra,  a cornercorner with one O(7)Li3V2Cr octahedra,  a cornercorner with one O(1)Li2V2Cr square pyramid,  a cornercorner with one O(3)Li2V2Cr square pyramid, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(5)LiV3Cr square pyramids,  an edgeedge with one O(9)Li2V3Cr octahedra, edges with two equivalent O(10)Li2V3Cr octahedra, edges with two equivalent O(6)Li2V3Cr octahedra,  an edgeedge with one O(11)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, and  an edgeedge with one O(5)LiV3Cr square pyramid. The corner-sharing octahedral tilt angles range from 3-9°. is represented by the CIF card [CIF]
data_Li4V5Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.149
_cell_length_b   5.111
_cell_length_c   9.928
_cell_angle_alpha   78.057
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   454.151
_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  0.914  0.006  0.739  1.0
  Li  Li1  1  0.922  0.496  0.256  1.0
  Li  Li2  1  0.582  0.759  0.502  1.0
  Li  Li3  1  0.586  0.505  0.262  1.0
  Li  Li4  1  0.414  0.994  0.261  1.0
  Li  Li5  1  0.422  0.504  0.744  1.0
  Li  Li6  1  0.082  0.241  0.498  1.0
  Li  Li7  1  0.086  0.495  0.738  1.0
  V  V8  1  0.921  0.262  0.003  1.0
  V  V9  1  0.927  0.749  0.493  1.0
  V  V10  1  0.749  0.997  0.255  1.0
  V  V11  1  0.741  0.510  0.741  1.0
  V  V12  1  0.575  0.254  0.005  1.0
  V  V13  1  0.427  0.251  0.507  1.0
  V  V14  1  0.249  0.003  0.745  1.0
  V  V15  1  0.421  0.738  0.997  1.0
  V  V16  1  0.241  0.490  0.259  1.0
  V  V17  1  0.075  0.746  0.995  1.0
  Cr  Cr18  1  0.750  0.247  0.503  1.0
  Cr  Cr19  1  0.746  0.760  0.995  1.0
  Cr  Cr20  1  0.246  0.240  0.005  1.0
  Cr  Cr21  1  0.250  0.753  0.497  1.0
  O  O22  1  0.894  0.120  0.378  1.0
  O  O23  1  0.899  0.880  0.111  1.0
  O  O24  1  0.771  0.863  0.615  1.0
  O  O25  1  0.903  0.382  0.619  1.0
  O  O26  1  0.754  0.148  0.888  1.0
  O  O27  1  0.898  0.632  0.876  1.0
  O  O28  1  0.762  0.628  0.375  1.0
  O  O29  1  0.592  0.134  0.385  1.0
  O  O30  1  0.593  0.866  0.123  1.0
  O  O31  1  0.750  0.372  0.121  1.0
  O  O32  1  0.596  0.385  0.619  1.0
  O  O33  1  0.589  0.629  0.882  1.0
  O  O34  1  0.394  0.880  0.622  1.0
  O  O35  1  0.399  0.120  0.889  1.0
  O  O36  1  0.271  0.137  0.385  1.0
  O  O37  1  0.403  0.618  0.381  1.0
  O  O38  1  0.254  0.852  0.112  1.0
  O  O39  1  0.398  0.368  0.124  1.0
  O  O40  1  0.262  0.372  0.625  1.0
  O  O41  1  0.092  0.866  0.615  1.0
  O  O42  1  0.093  0.134  0.877  1.0
  O  O43  1  0.250  0.628  0.879  1.0
  O  O44  1  0.096  0.615  0.381  1.0
  O  O45  1  0.089  0.371  0.118  1.0
[/CIF]
.