The material described by Li6Cr5O12 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(2)O6 octahedra,  an edgeedge with one Li(5)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(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(5)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(5)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 5-16°. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(2), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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(5)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) 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(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Cr(4)O6 octahedra, and edges with three equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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(5)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the third Cr site, Cr(3) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the fifth Cr site, Cr(5) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(6), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid, corners with two equivalent O(8)Li2Cr3 square pyramids, corners with two equivalent O(5)Li3Cr2 square pyramids,  an edgeedge with one O(7)Li3Cr3 octahedra,  an edgeedge with one O(10)Li4Cr2 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. The corner-sharing octahedral tilt angles range from 3-11°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid, corners with two equivalent O(8)Li2Cr3 square pyramids, corners with two equivalent O(4)Li3Cr2 square pyramids,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(12)Li4Cr2 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(7)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. The corner-sharing octahedral tilt angles range from 3-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li3Cr2 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid,  an edgeedge with one O(10)Li4Cr2 octahedra,  an edgeedge with one O(12)Li4Cr2 octahedra,  an edgeedge with one O(6)Li4Cr2 octahedra, edges with two equivalent O(7)Li3Cr3 octahedra, edges with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(8)Li2Cr3 square pyramid, edges with two equivalent O(1)Li2Cr3 square pyramids, and edges with two equivalent O(2)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(5), one Cr(4), and one Cr(5) atom to form OLi3Cr2 square pyramids that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid, corners with two equivalent O(2)Li2Cr3 square pyramids, corners with two equivalent O(11)Li3Cr2 square pyramids,  an edgeedge with one O(7)Li3Cr3 octahedra,  an edgeedge with one O(10)Li4Cr2 octahedra, edges with two equivalent O(12)Li4Cr2 octahedra, edges with two equivalent O(6)Li4Cr2 octahedra,  an edgeedge with one O(11)Li3Cr2 square pyramid, and  an edgeedge with one O(5)Li3Cr2 square pyramid. The corner-sharing octahedral tilt angles range from 7-14°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(6), one Cr(4), and one Cr(5) atom to form OLi3Cr2 square pyramids that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li3Cr2 square pyramid, corners with two equivalent O(1)Li2Cr3 square pyramids, corners with two equivalent O(11)Li3Cr2 square pyramids,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(12)Li4Cr2 octahedra, edges with two equivalent O(10)Li4Cr2 octahedra, edges with two equivalent O(6)Li4Cr2 octahedra,  an edgeedge with one O(11)Li3Cr2 square pyramid, and  an edgeedge with one O(4)Li3Cr2 square pyramid. The corner-sharing octahedral tilt angles range from 2-5°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Cr(4), and one Cr(5) atom to form OLi4Cr2 octahedra that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(7)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra, edges with two equivalent O(10)Li4Cr2 octahedra, edges with two equivalent O(12)Li4Cr2 octahedra,  an edgeedge with one O(11)Li3Cr2 square pyramid, edges with two equivalent O(4)Li3Cr2 square pyramids, and edges with two equivalent O(5)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid,  an edgeedge with one O(12)Li4Cr2 octahedra,  an edgeedge with one O(6)Li4Cr2 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li3Cr2 square pyramid, edges with two equivalent O(2)Li2Cr3 square pyramids, and edges with two equivalent O(8)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 2-10°. In the eighth O site, O(8) is bonded to one Li(4), one Li(6), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(4)Li3Cr2 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid, corners with two equivalent O(1)Li2Cr3 square pyramids, corners with two equivalent O(2)Li2Cr3 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra, edges with two equivalent O(7)Li3Cr3 octahedra, edges with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid, and  an edgeedge with one O(11)Li3Cr2 square pyramid. The corner-sharing octahedral tilt angles range from 0-9°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(6), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid,  an edgeedge with one O(10)Li4Cr2 octahedra,  an edgeedge with one O(6)Li4Cr2 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(7)Li3Cr3 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(5)Li3Cr2 square pyramid, edges with two equivalent O(1)Li2Cr3 square pyramids, and edges with two equivalent O(8)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Cr(4), and one Cr(5) atom to form OLi4Cr2 octahedra that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li3Cr2 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra, edges with two equivalent O(12)Li4Cr2 octahedra, edges with two equivalent O(6)Li4Cr2 octahedra,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li3Cr2 square pyramid, edges with two equivalent O(11)Li3Cr2 square pyramids, and edges with two equivalent O(5)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles range from 6-12°. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Cr(4), and one Cr(5) atom to form OLi3Cr2 square pyramids that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid, corners with two equivalent O(4)Li3Cr2 square pyramids, corners with two equivalent O(5)Li3Cr2 square pyramids,  an edgeedge with one O(6)Li4Cr2 octahedra, edges with two equivalent O(10)Li4Cr2 octahedra, edges with two equivalent O(12)Li4Cr2 octahedra,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li3Cr2 square pyramid, and  an edgeedge with one O(5)Li3Cr2 square pyramid. The corner-sharing octahedral tilt angles range from 2-5°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Cr(4), and one Cr(5) atom to form OLi4Cr2 octahedra that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li3Cr2 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(7)Li3Cr3 octahedra, edges with two equivalent O(10)Li4Cr2 octahedra, edges with two equivalent O(6)Li4Cr2 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(5)Li3Cr2 square pyramid, edges with two equivalent O(11)Li3Cr2 square pyramids, and edges with two equivalent O(4)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles range from 2-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Cr5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.796
_cell_length_b   5.115
_cell_length_c   9.839
_cell_angle_alpha   80.376
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   436.423
_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  0.237  0.001  0.758  1.0
  Li  Li1  1  0.594  0.997  0.760  1.0
  Li  Li2  1  0.094  0.003  0.240  1.0
  Li  Li3  1  0.737  0.999  0.242  1.0
  Li  Li4  1  0.412  0.500  0.759  1.0
  Li  Li5  1  0.761  0.506  0.757  1.0
  Li  Li6  1  0.752  0.755  0.991  1.0
  Li  Li7  1  0.582  0.502  0.245  1.0
  Li  Li8  1  0.261  0.494  0.243  1.0
  Li  Li9  1  0.912  0.500  0.241  1.0
  Li  Li10  1  0.082  0.498  0.755  1.0
  Li  Li11  1  0.252  0.245  0.009  1.0
  Cr  Cr12  1  0.581  0.750  0.497  1.0
  Cr  Cr13  1  0.081  0.250  0.503  1.0
  Cr  Cr14  1  0.416  0.245  0.499  1.0
  Cr  Cr15  1  0.750  0.249  0.504  1.0
  Cr  Cr16  1  0.250  0.751  0.496  1.0
  Cr  Cr17  1  0.916  0.755  0.501  1.0
  Cr  Cr18  1  0.922  0.237  0.996  1.0
  Cr  Cr19  1  0.422  0.763  0.004  1.0
  Cr  Cr20  1  0.075  0.738  0.995  1.0
  Cr  Cr21  1  0.575  0.262  0.005  1.0
  O  O22  1  0.587  0.120  0.395  1.0
  O  O23  1  0.245  0.122  0.392  1.0
  O  O24  1  0.915  0.121  0.392  1.0
  O  O25  1  0.746  0.158  0.893  1.0
  O  O26  1  0.070  0.109  0.891  1.0
  O  O27  1  0.415  0.879  0.608  1.0
  O  O28  1  0.745  0.878  0.608  1.0
  O  O29  1  0.087  0.880  0.605  1.0
  O  O30  1  0.430  0.110  0.890  1.0
  O  O31  1  0.930  0.890  0.110  1.0
  O  O32  1  0.570  0.891  0.109  1.0
  O  O33  1  0.246  0.842  0.107  1.0
  O  O34  1  0.082  0.618  0.390  1.0
  O  O35  1  0.416  0.607  0.392  1.0
  O  O36  1  0.749  0.620  0.386  1.0
  O  O37  1  0.247  0.648  0.885  1.0
  O  O38  1  0.249  0.380  0.614  1.0
  O  O39  1  0.916  0.393  0.608  1.0
  O  O40  1  0.582  0.382  0.610  1.0
  O  O41  1  0.932  0.596  0.888  1.0
  O  O42  1  0.569  0.612  0.890  1.0
  O  O43  1  0.069  0.388  0.110  1.0
  O  O44  1  0.432  0.404  0.112  1.0
  O  O45  1  0.747  0.352  0.115  1.0
[/CIF]
.
The material described by Li6Cr5O12 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(2)O6 octahedra,  an edgeedge with one Li(5)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(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(5)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(5)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 5-16°. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(2), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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(5)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) 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(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Cr(4)O6 octahedra, and edges with three equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)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(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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(5)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the third Cr site, Cr(3) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the fifth Cr site, Cr(5) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(6), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid, corners with two equivalent O(8)Li2Cr3 square pyramids, corners with two equivalent O(5)Li3Cr2 square pyramids,  an edgeedge with one O(7)Li3Cr3 octahedra,  an edgeedge with one O(10)Li4Cr2 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. The corner-sharing octahedral tilt angles range from 3-11°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid, corners with two equivalent O(8)Li2Cr3 square pyramids, corners with two equivalent O(4)Li3Cr2 square pyramids,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(12)Li4Cr2 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(7)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. The corner-sharing octahedral tilt angles range from 3-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li3Cr2 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid,  an edgeedge with one O(10)Li4Cr2 octahedra,  an edgeedge with one O(12)Li4Cr2 octahedra,  an edgeedge with one O(6)Li4Cr2 octahedra, edges with two equivalent O(7)Li3Cr3 octahedra, edges with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(8)Li2Cr3 square pyramid, edges with two equivalent O(1)Li2Cr3 square pyramids, and edges with two equivalent O(2)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(5), one Cr(4), and one Cr(5) atom to form OLi3Cr2 square pyramids that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid, corners with two equivalent O(2)Li2Cr3 square pyramids, corners with two equivalent O(11)Li3Cr2 square pyramids,  an edgeedge with one O(7)Li3Cr3 octahedra,  an edgeedge with one O(10)Li4Cr2 octahedra, edges with two equivalent O(12)Li4Cr2 octahedra, edges with two equivalent O(6)Li4Cr2 octahedra,  an edgeedge with one O(11)Li3Cr2 square pyramid, and  an edgeedge with one O(5)Li3Cr2 square pyramid. The corner-sharing octahedral tilt angles range from 7-14°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(6), one Cr(4), and one Cr(5) atom to form OLi3Cr2 square pyramids that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li3Cr2 square pyramid, corners with two equivalent O(1)Li2Cr3 square pyramids, corners with two equivalent O(11)Li3Cr2 square pyramids,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(12)Li4Cr2 octahedra, edges with two equivalent O(10)Li4Cr2 octahedra, edges with two equivalent O(6)Li4Cr2 octahedra,  an edgeedge with one O(11)Li3Cr2 square pyramid, and  an edgeedge with one O(4)Li3Cr2 square pyramid. The corner-sharing octahedral tilt angles range from 2-5°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Cr(4), and one Cr(5) atom to form OLi4Cr2 octahedra that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(7)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra, edges with two equivalent O(10)Li4Cr2 octahedra, edges with two equivalent O(12)Li4Cr2 octahedra,  an edgeedge with one O(11)Li3Cr2 square pyramid, edges with two equivalent O(4)Li3Cr2 square pyramids, and edges with two equivalent O(5)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid,  an edgeedge with one O(12)Li4Cr2 octahedra,  an edgeedge with one O(6)Li4Cr2 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li3Cr2 square pyramid, edges with two equivalent O(2)Li2Cr3 square pyramids, and edges with two equivalent O(8)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 2-10°. In the eighth O site, O(8) is bonded to one Li(4), one Li(6), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(4)Li3Cr2 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid, corners with two equivalent O(1)Li2Cr3 square pyramids, corners with two equivalent O(2)Li2Cr3 square pyramids,  an edgeedge with one O(3)Li3Cr3 octahedra, edges with two equivalent O(7)Li3Cr3 octahedra, edges with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(2)Li2Cr3 square pyramid, and  an edgeedge with one O(11)Li3Cr2 square pyramid. The corner-sharing octahedral tilt angles range from 0-9°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(6), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(3)Li3Cr3 octahedra,  a cornercorner with one O(10)Li4Cr2 octahedra,  a cornercorner with one O(12)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid,  a cornercorner with one O(11)Li3Cr2 square pyramid,  an edgeedge with one O(10)Li4Cr2 octahedra,  an edgeedge with one O(6)Li4Cr2 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, edges with two equivalent O(7)Li3Cr3 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(5)Li3Cr2 square pyramid, edges with two equivalent O(1)Li2Cr3 square pyramids, and edges with two equivalent O(8)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Cr(4), and one Cr(5) atom to form OLi4Cr2 octahedra that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li3Cr2 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra, edges with two equivalent O(12)Li4Cr2 octahedra, edges with two equivalent O(6)Li4Cr2 octahedra,  an edgeedge with one O(1)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li3Cr2 square pyramid, edges with two equivalent O(11)Li3Cr2 square pyramids, and edges with two equivalent O(5)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles range from 6-12°. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Cr(4), and one Cr(5) atom to form OLi3Cr2 square pyramids that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(1)Li2Cr3 square pyramid,  a cornercorner with one O(2)Li2Cr3 square pyramid, corners with two equivalent O(4)Li3Cr2 square pyramids, corners with two equivalent O(5)Li3Cr2 square pyramids,  an edgeedge with one O(6)Li4Cr2 octahedra, edges with two equivalent O(10)Li4Cr2 octahedra, edges with two equivalent O(12)Li4Cr2 octahedra,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li3Cr2 square pyramid, and  an edgeedge with one O(5)Li3Cr2 square pyramid. The corner-sharing octahedral tilt angles range from 2-5°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Cr(4), and one Cr(5) atom to form OLi4Cr2 octahedra that share  a cornercorner with one O(7)Li3Cr3 octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra,  a cornercorner with one O(6)Li4Cr2 octahedra,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li3Cr2 square pyramid,  a cornercorner with one O(5)Li3Cr2 square pyramid,  an edgeedge with one O(3)Li3Cr3 octahedra,  an edgeedge with one O(7)Li3Cr3 octahedra, edges with two equivalent O(10)Li4Cr2 octahedra, edges with two equivalent O(6)Li4Cr2 octahedra,  an edgeedge with one O(2)Li2Cr3 square pyramid,  an edgeedge with one O(5)Li3Cr2 square pyramid, edges with two equivalent O(11)Li3Cr2 square pyramids, and edges with two equivalent O(4)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles range from 2-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Cr5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.796
_cell_length_b   5.115
_cell_length_c   9.839
_cell_angle_alpha   80.376
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   436.423
_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  0.237  0.001  0.758  1.0
  Li  Li1  1  0.594  0.997  0.760  1.0
  Li  Li2  1  0.094  0.003  0.240  1.0
  Li  Li3  1  0.737  0.999  0.242  1.0
  Li  Li4  1  0.412  0.500  0.759  1.0
  Li  Li5  1  0.761  0.506  0.757  1.0
  Li  Li6  1  0.752  0.755  0.991  1.0
  Li  Li7  1  0.582  0.502  0.245  1.0
  Li  Li8  1  0.261  0.494  0.243  1.0
  Li  Li9  1  0.912  0.500  0.241  1.0
  Li  Li10  1  0.082  0.498  0.755  1.0
  Li  Li11  1  0.252  0.245  0.009  1.0
  Cr  Cr12  1  0.581  0.750  0.497  1.0
  Cr  Cr13  1  0.081  0.250  0.503  1.0
  Cr  Cr14  1  0.416  0.245  0.499  1.0
  Cr  Cr15  1  0.750  0.249  0.504  1.0
  Cr  Cr16  1  0.250  0.751  0.496  1.0
  Cr  Cr17  1  0.916  0.755  0.501  1.0
  Cr  Cr18  1  0.922  0.237  0.996  1.0
  Cr  Cr19  1  0.422  0.763  0.004  1.0
  Cr  Cr20  1  0.075  0.738  0.995  1.0
  Cr  Cr21  1  0.575  0.262  0.005  1.0
  O  O22  1  0.587  0.120  0.395  1.0
  O  O23  1  0.245  0.122  0.392  1.0
  O  O24  1  0.915  0.121  0.392  1.0
  O  O25  1  0.746  0.158  0.893  1.0
  O  O26  1  0.070  0.109  0.891  1.0
  O  O27  1  0.415  0.879  0.608  1.0
  O  O28  1  0.745  0.878  0.608  1.0
  O  O29  1  0.087  0.880  0.605  1.0
  O  O30  1  0.430  0.110  0.890  1.0
  O  O31  1  0.930  0.890  0.110  1.0
  O  O32  1  0.570  0.891  0.109  1.0
  O  O33  1  0.246  0.842  0.107  1.0
  O  O34  1  0.082  0.618  0.390  1.0
  O  O35  1  0.416  0.607  0.392  1.0
  O  O36  1  0.749  0.620  0.386  1.0
  O  O37  1  0.247  0.648  0.885  1.0
  O  O38  1  0.249  0.380  0.614  1.0
  O  O39  1  0.916  0.393  0.608  1.0
  O  O40  1  0.582  0.382  0.610  1.0
  O  O41  1  0.932  0.596  0.888  1.0
  O  O42  1  0.569  0.612  0.890  1.0
  O  O43  1  0.069  0.388  0.110  1.0
  O  O44  1  0.432  0.404  0.112  1.0
  O  O45  1  0.747  0.352  0.115  1.0
[/CIF]
.