The material described by Li6Cr2Mn3Fe3O16 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(10), one O(12), one O(13), one O(15), one O(3), and one O(7) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the second Li site, Li(2) is bonded to one O(13), one O(15), one O(16), one O(3), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-50°. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(13), one O(16), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-47°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(14), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(14), one O(2), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-52°. In the sixth Li site, Li(6) is bonded to one O(11), one O(14), one O(2), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-47°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(4)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 49-54°. In the second Cr site, Cr(2) is bonded to one O(10), one O(12), one O(15), one O(16), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(16), one O(3), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent 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, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(13), one O(14), one O(15), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. In the third Mn site, Mn(3) is bonded to one O(12), one O(13), one O(14), one O(15), one O(4), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-52°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(6)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, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-54°. In the second Fe site, Fe(2) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-54°. In the third Fe site, Fe(3) is bonded to one O(1), one O(12), one O(13), one O(14), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one Cr(1), one Mn(2), and one Fe(3) atom to form distorted OLi2MnCrFe trigonal bipyramids that share  a cornercorner with one O(15)Li2Mn2Cr square pyramid,  a cornercorner with one O(12)Li2MnCrFe square pyramid, corners with two equivalent O(9)Li2MnCrFe square pyramids, corners with three equivalent O(6)Li2MnCrFe square pyramids,  a cornercorner with one O(8)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(4)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(2)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2MnCrFe square pyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the second O site, O(2) is bonded to one Li(5), one Li(6), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(5)Li2MnCrFe square pyramid,  a cornercorner with one O(6)Li2MnCrFe square pyramid,  a cornercorner with one O(10)Li2MnCrFe trigonal bipyramid,  a cornercorner with one O(16)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(7)Li2CrFe2 trigonal bipyramids, corners with three equivalent O(8)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(11)Li3MnFe2 octahedra,  an edgeedge with one O(5)Li2MnCrFe square pyramid,  an edgeedge with one O(6)Li2MnCrFe square pyramid,  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(4), one Li(6), one Cr(1), one Mn(3), and one Fe(3) atom to form distorted OLi2MnCrFe trigonal bipyramids that share  a cornercorner with one O(15)Li2Mn2Cr square pyramid,  a cornercorner with one O(9)Li2MnCrFe square pyramid, corners with two equivalent O(12)Li2MnCrFe square pyramids, corners with three equivalent O(5)Li2MnCrFe square pyramids,  a cornercorner with one O(8)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(1)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(2)Li2CrFe2 square pyramid,  an edgeedge with one O(6)Li2MnCrFe square pyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(4), one Li(6), one Cr(1), one Mn(1), and one Fe(1) atom to form OLi2MnCrFe square pyramids that share  a cornercorner with one O(2)Li2CrFe2 square pyramid,  a cornercorner with one O(6)Li2MnCrFe square pyramid,  a cornercorner with one O(7)Li2CrFe2 trigonal bipyramid,  a cornercorner with one O(16)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(10)Li2MnCrFe trigonal bipyramids, corners with three equivalent O(4)Li2MnCrFe trigonal bipyramids, edges with two equivalent O(11)Li3MnFe2 octahedra,  an edgeedge with one O(2)Li2CrFe2 square pyramid,  an edgeedge with one O(6)Li2MnCrFe square pyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Cr(1), one Mn(1), and one Fe(2) atom to form OLi2MnCrFe square pyramids that share  a cornercorner with one O(2)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2MnCrFe square pyramid,  a cornercorner with one O(7)Li2CrFe2 trigonal bipyramid,  a cornercorner with one O(10)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(16)Li2MnCrFe trigonal bipyramids, corners with three equivalent O(1)Li2MnCrFe trigonal bipyramids, edges with two equivalent O(11)Li3MnFe2 octahedra,  an edgeedge with one O(2)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2MnCrFe square pyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Cr(2), one Fe(1), and one Fe(2) atom to form distorted OLi2CrFe2 trigonal bipyramids that share  a cornercorner with one O(5)Li2MnCrFe square pyramid,  a cornercorner with one O(6)Li2MnCrFe square pyramid, corners with two equivalent O(2)Li2CrFe2 square pyramids, corners with three equivalent O(15)Li2Mn2Cr square pyramids,  a cornercorner with one O(10)Li2MnCrFe trigonal bipyramid,  a cornercorner with one O(16)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(12)Li2MnCrFe square pyramid,  an edgeedge with one O(9)Li2MnCrFe square pyramid,  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one Cr(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn2Cr trigonal bipyramids that share  a cornercorner with one O(12)Li2MnCrFe square pyramid,  a cornercorner with one O(9)Li2MnCrFe square pyramid, corners with two equivalent O(15)Li2Mn2Cr square pyramids, corners with three equivalent O(2)Li2CrFe2 square pyramids,  a cornercorner with one O(1)Li2MnCrFe trigonal bipyramid,  a cornercorner with one O(4)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(5)Li2MnCrFe square pyramid,  an edgeedge with one O(6)Li2MnCrFe square pyramid,  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Cr(2), one Mn(2), and one Fe(3) atom to form OLi2MnCrFe square pyramids that share  a cornercorner with one O(15)Li2Mn2Cr square pyramid,  a cornercorner with one O(12)Li2MnCrFe square pyramid,  a cornercorner with one O(8)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(4)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(1)Li2MnCrFe trigonal bipyramids, corners with three equivalent O(16)Li2MnCrFe trigonal bipyramids, edges with two equivalent O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(15)Li2Mn2Cr square pyramid,  an edgeedge with one O(12)Li2MnCrFe square pyramid,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid, and  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Cr(2), one Mn(1), and one Fe(1) atom to form distorted OLi2MnCrFe trigonal bipyramids that share  a cornercorner with one O(2)Li2CrFe2 square pyramid,  a cornercorner with one O(6)Li2MnCrFe square pyramid, corners with two equivalent O(5)Li2MnCrFe square pyramids, corners with three equivalent O(12)Li2MnCrFe square pyramids,  a cornercorner with one O(7)Li2CrFe2 trigonal bipyramid,  a cornercorner with one O(16)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(15)Li2Mn2Cr square pyramid,  an edgeedge with one O(9)Li2MnCrFe square pyramid,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid, and  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Mn(1), one Fe(1), and one Fe(2) atom to form OLi3MnFe2 octahedra that share edges with two equivalent O(2)Li2CrFe2 square pyramids, edges with two equivalent O(5)Li2MnCrFe square pyramids, edges with two equivalent O(6)Li2MnCrFe square pyramids,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid,  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Cr(2), one Mn(3), and one Fe(3) atom to form OLi2MnCrFe square pyramids that share  a cornercorner with one O(15)Li2Mn2Cr square pyramid,  a cornercorner with one O(9)Li2MnCrFe square pyramid,  a cornercorner with one O(8)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(1)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(4)Li2MnCrFe trigonal bipyramids, corners with three equivalent O(10)Li2MnCrFe trigonal bipyramids, edges with two equivalent O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(15)Li2Mn2Cr square pyramid,  an edgeedge with one O(9)Li2MnCrFe square pyramid,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid, and  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(2), one Li(3), one Mn(2), one Mn(3), and one Fe(3) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(15)Li2Mn2Cr square pyramids, edges with two equivalent O(12)Li2MnCrFe square pyramids, edges with two equivalent O(9)Li2MnCrFe square pyramids,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid,  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Li(4), one Li(5), one Li(6), one Mn(2), one Mn(3), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(2), one Cr(2), one Mn(2), and one Mn(3) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(12)Li2MnCrFe square pyramid,  a cornercorner with one O(9)Li2MnCrFe square pyramid,  a cornercorner with one O(1)Li2MnCrFe trigonal bipyramid,  a cornercorner with one O(4)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(8)Li2Mn2Cr trigonal bipyramids, corners with three equivalent O(7)Li2CrFe2 trigonal bipyramids, edges with two equivalent O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(12)Li2MnCrFe square pyramid,  an edgeedge with one O(9)Li2MnCrFe square pyramid,  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one Cr(2), one Mn(1), and one Fe(2) atom to form distorted OLi2MnCrFe trigonal bipyramids that share  a cornercorner with one O(2)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2MnCrFe square pyramid, corners with two equivalent O(6)Li2MnCrFe square pyramids, corners with three equivalent O(9)Li2MnCrFe square pyramids,  a cornercorner with one O(7)Li2CrFe2 trigonal bipyramid,  a cornercorner with one O(10)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(15)Li2Mn2Cr square pyramid,  an edgeedge with one O(12)Li2MnCrFe square pyramid,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid, and  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid. is represented by the CIF file [CIF]
data_Li6Mn3Cr2Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   5.871
_cell_length_c   9.561
_cell_angle_alpha   89.416
_cell_angle_beta   89.199
_cell_angle_gamma   60.513
_symmetry_Int_Tables_number   1
_cell_volume   286.524
_cell_formula_units_Z   1
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  0.345  0.831  0.943  1.0
  Li  Li1  1  0.835  0.343  0.943  1.0
  Li  Li2  1  0.829  0.828  0.945  1.0
  Li  Li3  1  0.175  0.174  0.441  1.0
  Li  Li4  1  0.176  0.655  0.444  1.0
  Li  Li5  1  0.654  0.174  0.445  1.0
  Mn  Mn6  1  0.831  0.831  0.215  1.0
  Mn  Mn7  1  0.171  0.663  0.715  1.0
  Mn  Mn8  1  0.663  0.167  0.714  1.0
  Cr  Cr9  1  0.660  0.669  0.488  1.0
  Cr  Cr10  1  0.334  0.331  0.987  1.0
  Fe  Fe11  1  0.334  0.831  0.212  1.0
  Fe  Fe12  1  0.831  0.334  0.213  1.0
  Fe  Fe13  1  0.165  0.168  0.711  1.0
  O  O14  1  0.316  0.835  0.595  1.0
  O  O15  1  0.517  0.517  0.346  1.0
  O  O16  1  0.674  0.673  0.099  1.0
  O  O17  1  0.834  0.322  0.595  1.0
  O  O18  1  0.524  0.965  0.342  1.0
  O  O19  1  0.965  0.526  0.343  1.0
  O  O20  1  0.160  0.160  0.092  1.0
  O  O21  1  0.823  0.851  0.599  1.0
  O  O22  1  0.042  0.489  0.842  1.0
  O  O23  1  0.153  0.678  0.097  1.0
  O  O24  1  0.993  0.993  0.324  1.0
  O  O25  1  0.488  0.036  0.842  1.0
  O  O26  1  0.981  0.016  0.825  1.0
  O  O27  1  0.352  0.317  0.597  1.0
  O  O28  1  0.499  0.473  0.845  1.0
  O  O29  1  0.677  0.151  0.100  1.0
[/CIF]
.
The material described by Li6Cr2Mn3Fe3O16 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(10), one O(12), one O(13), one O(15), one O(3), and one O(7) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the second Li site, Li(2) is bonded to one O(13), one O(15), one O(16), one O(3), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-50°. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(13), one O(16), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-47°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(14), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(14), one O(2), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-52°. In the sixth Li site, Li(6) is bonded to one O(11), one O(14), one O(2), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-47°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(4)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 49-54°. In the second Cr site, Cr(2) is bonded to one O(10), one O(12), one O(15), one O(16), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(16), one O(3), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent 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, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(13), one O(14), one O(15), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. In the third Mn site, Mn(3) is bonded to one O(12), one O(13), one O(14), one O(15), one O(4), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-52°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(6)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, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-54°. In the second Fe site, Fe(2) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-54°. In the third Fe site, Fe(3) is bonded to one O(1), one O(12), one O(13), one O(14), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one Cr(1), one Mn(2), and one Fe(3) atom to form distorted OLi2MnCrFe trigonal bipyramids that share  a cornercorner with one O(15)Li2Mn2Cr square pyramid,  a cornercorner with one O(12)Li2MnCrFe square pyramid, corners with two equivalent O(9)Li2MnCrFe square pyramids, corners with three equivalent O(6)Li2MnCrFe square pyramids,  a cornercorner with one O(8)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(4)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(2)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2MnCrFe square pyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the second O site, O(2) is bonded to one Li(5), one Li(6), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(5)Li2MnCrFe square pyramid,  a cornercorner with one O(6)Li2MnCrFe square pyramid,  a cornercorner with one O(10)Li2MnCrFe trigonal bipyramid,  a cornercorner with one O(16)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(7)Li2CrFe2 trigonal bipyramids, corners with three equivalent O(8)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(11)Li3MnFe2 octahedra,  an edgeedge with one O(5)Li2MnCrFe square pyramid,  an edgeedge with one O(6)Li2MnCrFe square pyramid,  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(4), one Li(6), one Cr(1), one Mn(3), and one Fe(3) atom to form distorted OLi2MnCrFe trigonal bipyramids that share  a cornercorner with one O(15)Li2Mn2Cr square pyramid,  a cornercorner with one O(9)Li2MnCrFe square pyramid, corners with two equivalent O(12)Li2MnCrFe square pyramids, corners with three equivalent O(5)Li2MnCrFe square pyramids,  a cornercorner with one O(8)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(1)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(2)Li2CrFe2 square pyramid,  an edgeedge with one O(6)Li2MnCrFe square pyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(4), one Li(6), one Cr(1), one Mn(1), and one Fe(1) atom to form OLi2MnCrFe square pyramids that share  a cornercorner with one O(2)Li2CrFe2 square pyramid,  a cornercorner with one O(6)Li2MnCrFe square pyramid,  a cornercorner with one O(7)Li2CrFe2 trigonal bipyramid,  a cornercorner with one O(16)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(10)Li2MnCrFe trigonal bipyramids, corners with three equivalent O(4)Li2MnCrFe trigonal bipyramids, edges with two equivalent O(11)Li3MnFe2 octahedra,  an edgeedge with one O(2)Li2CrFe2 square pyramid,  an edgeedge with one O(6)Li2MnCrFe square pyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Cr(1), one Mn(1), and one Fe(2) atom to form OLi2MnCrFe square pyramids that share  a cornercorner with one O(2)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2MnCrFe square pyramid,  a cornercorner with one O(7)Li2CrFe2 trigonal bipyramid,  a cornercorner with one O(10)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(16)Li2MnCrFe trigonal bipyramids, corners with three equivalent O(1)Li2MnCrFe trigonal bipyramids, edges with two equivalent O(11)Li3MnFe2 octahedra,  an edgeedge with one O(2)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2MnCrFe square pyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Cr(2), one Fe(1), and one Fe(2) atom to form distorted OLi2CrFe2 trigonal bipyramids that share  a cornercorner with one O(5)Li2MnCrFe square pyramid,  a cornercorner with one O(6)Li2MnCrFe square pyramid, corners with two equivalent O(2)Li2CrFe2 square pyramids, corners with three equivalent O(15)Li2Mn2Cr square pyramids,  a cornercorner with one O(10)Li2MnCrFe trigonal bipyramid,  a cornercorner with one O(16)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(12)Li2MnCrFe square pyramid,  an edgeedge with one O(9)Li2MnCrFe square pyramid,  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one Cr(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn2Cr trigonal bipyramids that share  a cornercorner with one O(12)Li2MnCrFe square pyramid,  a cornercorner with one O(9)Li2MnCrFe square pyramid, corners with two equivalent O(15)Li2Mn2Cr square pyramids, corners with three equivalent O(2)Li2CrFe2 square pyramids,  a cornercorner with one O(1)Li2MnCrFe trigonal bipyramid,  a cornercorner with one O(4)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(5)Li2MnCrFe square pyramid,  an edgeedge with one O(6)Li2MnCrFe square pyramid,  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Cr(2), one Mn(2), and one Fe(3) atom to form OLi2MnCrFe square pyramids that share  a cornercorner with one O(15)Li2Mn2Cr square pyramid,  a cornercorner with one O(12)Li2MnCrFe square pyramid,  a cornercorner with one O(8)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(4)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(1)Li2MnCrFe trigonal bipyramids, corners with three equivalent O(16)Li2MnCrFe trigonal bipyramids, edges with two equivalent O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(15)Li2Mn2Cr square pyramid,  an edgeedge with one O(12)Li2MnCrFe square pyramid,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid, and  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Cr(2), one Mn(1), and one Fe(1) atom to form distorted OLi2MnCrFe trigonal bipyramids that share  a cornercorner with one O(2)Li2CrFe2 square pyramid,  a cornercorner with one O(6)Li2MnCrFe square pyramid, corners with two equivalent O(5)Li2MnCrFe square pyramids, corners with three equivalent O(12)Li2MnCrFe square pyramids,  a cornercorner with one O(7)Li2CrFe2 trigonal bipyramid,  a cornercorner with one O(16)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(15)Li2Mn2Cr square pyramid,  an edgeedge with one O(9)Li2MnCrFe square pyramid,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid, and  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Mn(1), one Fe(1), and one Fe(2) atom to form OLi3MnFe2 octahedra that share edges with two equivalent O(2)Li2CrFe2 square pyramids, edges with two equivalent O(5)Li2MnCrFe square pyramids, edges with two equivalent O(6)Li2MnCrFe square pyramids,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid,  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Cr(2), one Mn(3), and one Fe(3) atom to form OLi2MnCrFe square pyramids that share  a cornercorner with one O(15)Li2Mn2Cr square pyramid,  a cornercorner with one O(9)Li2MnCrFe square pyramid,  a cornercorner with one O(8)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(1)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(4)Li2MnCrFe trigonal bipyramids, corners with three equivalent O(10)Li2MnCrFe trigonal bipyramids, edges with two equivalent O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(15)Li2Mn2Cr square pyramid,  an edgeedge with one O(9)Li2MnCrFe square pyramid,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid, and  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(2), one Li(3), one Mn(2), one Mn(3), and one Fe(3) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(15)Li2Mn2Cr square pyramids, edges with two equivalent O(12)Li2MnCrFe square pyramids, edges with two equivalent O(9)Li2MnCrFe square pyramids,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid,  an edgeedge with one O(8)Li2Mn2Cr trigonal bipyramid,  an edgeedge with one O(1)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(4)Li2MnCrFe trigonal bipyramid. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Li(4), one Li(5), one Li(6), one Mn(2), one Mn(3), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(2), one Cr(2), one Mn(2), and one Mn(3) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(12)Li2MnCrFe square pyramid,  a cornercorner with one O(9)Li2MnCrFe square pyramid,  a cornercorner with one O(1)Li2MnCrFe trigonal bipyramid,  a cornercorner with one O(4)Li2MnCrFe trigonal bipyramid, corners with two equivalent O(8)Li2Mn2Cr trigonal bipyramids, corners with three equivalent O(7)Li2CrFe2 trigonal bipyramids, edges with two equivalent O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(12)Li2MnCrFe square pyramid,  an edgeedge with one O(9)Li2MnCrFe square pyramid,  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid, and  an edgeedge with one O(16)Li2MnCrFe trigonal bipyramid. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one Cr(2), one Mn(1), and one Fe(2) atom to form distorted OLi2MnCrFe trigonal bipyramids that share  a cornercorner with one O(2)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2MnCrFe square pyramid, corners with two equivalent O(6)Li2MnCrFe square pyramids, corners with three equivalent O(9)Li2MnCrFe square pyramids,  a cornercorner with one O(7)Li2CrFe2 trigonal bipyramid,  a cornercorner with one O(10)Li2MnCrFe trigonal bipyramid,  an edgeedge with one O(13)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3MnFe2 octahedra,  an edgeedge with one O(15)Li2Mn2Cr square pyramid,  an edgeedge with one O(12)Li2MnCrFe square pyramid,  an edgeedge with one O(7)Li2CrFe2 trigonal bipyramid, and  an edgeedge with one O(10)Li2MnCrFe trigonal bipyramid. is represented by the CIF file [CIF]
data_Li6Mn3Cr2Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   5.871
_cell_length_c   9.561
_cell_angle_alpha   89.416
_cell_angle_beta   89.199
_cell_angle_gamma   60.513
_symmetry_Int_Tables_number   1
_cell_volume   286.524
_cell_formula_units_Z   1
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  0.345  0.831  0.943  1.0
  Li  Li1  1  0.835  0.343  0.943  1.0
  Li  Li2  1  0.829  0.828  0.945  1.0
  Li  Li3  1  0.175  0.174  0.441  1.0
  Li  Li4  1  0.176  0.655  0.444  1.0
  Li  Li5  1  0.654  0.174  0.445  1.0
  Mn  Mn6  1  0.831  0.831  0.215  1.0
  Mn  Mn7  1  0.171  0.663  0.715  1.0
  Mn  Mn8  1  0.663  0.167  0.714  1.0
  Cr  Cr9  1  0.660  0.669  0.488  1.0
  Cr  Cr10  1  0.334  0.331  0.987  1.0
  Fe  Fe11  1  0.334  0.831  0.212  1.0
  Fe  Fe12  1  0.831  0.334  0.213  1.0
  Fe  Fe13  1  0.165  0.168  0.711  1.0
  O  O14  1  0.316  0.835  0.595  1.0
  O  O15  1  0.517  0.517  0.346  1.0
  O  O16  1  0.674  0.673  0.099  1.0
  O  O17  1  0.834  0.322  0.595  1.0
  O  O18  1  0.524  0.965  0.342  1.0
  O  O19  1  0.965  0.526  0.343  1.0
  O  O20  1  0.160  0.160  0.092  1.0
  O  O21  1  0.823  0.851  0.599  1.0
  O  O22  1  0.042  0.489  0.842  1.0
  O  O23  1  0.153  0.678  0.097  1.0
  O  O24  1  0.993  0.993  0.324  1.0
  O  O25  1  0.488  0.036  0.842  1.0
  O  O26  1  0.981  0.016  0.825  1.0
  O  O27  1  0.352  0.317  0.597  1.0
  O  O28  1  0.499  0.473  0.845  1.0
  O  O29  1  0.677  0.151  0.100  1.0
[/CIF]
.