Li3Cr2Mn5O12 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the third Mn site, Mn(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Cr(2), one Mn(1), one Mn(2), and one Mn(4) atom to form OLiMn3Cr square pyramids that share  a cornercorner with one O(1)LiMn3Cr square pyramid, corners with two equivalent O(3)Li2Mn2Cr square pyramids, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with two equivalent O(2)LiMn3Cr square pyramids, corners with two equivalent O(5)LiMn3Cr square pyramids,  an edgeedge with one O(4)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)LiMn3Cr square pyramid, edges with three equivalent O(2)LiMn3Cr square pyramids, and edges with three equivalent O(5)LiMn3Cr square pyramids. In the second O site, O(2) is bonded to one Li(1), one Cr(2), one Mn(1), one Mn(2), and one Mn(4) atom to form OLiMn3Cr square pyramids that share  a cornercorner with one O(2)LiMn3Cr square pyramid, corners with two equivalent O(4)Li2Mn2Cr square pyramids, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with two equivalent O(1)LiMn3Cr square pyramids, corners with two equivalent O(5)LiMn3Cr square pyramids,  an edgeedge with one O(3)Li2Mn2Cr square pyramid,  an edgeedge with one O(2)LiMn3Cr square pyramid, edges with three equivalent O(1)LiMn3Cr square pyramids, and edges with three equivalent O(5)LiMn3Cr square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(3), and one Mn(4) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(3)Li2Mn2Cr square pyramid, corners with two equivalent O(4)Li2Mn2Cr square pyramids, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with two equivalent O(1)LiMn3Cr square pyramids, corners with two equivalent O(5)LiMn3Cr square pyramids,  an edgeedge with one O(3)Li2Mn2Cr square pyramid,  an edgeedge with one O(2)LiMn3Cr square pyramid, edges with three equivalent O(4)Li2Mn2Cr square pyramids, and edges with three equivalent O(6)Li2Mn2Cr square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(3), and one Mn(4) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(4)Li2Mn2Cr square pyramid, corners with two equivalent O(3)Li2Mn2Cr square pyramids, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with two equivalent O(2)LiMn3Cr square pyramids, corners with two equivalent O(5)LiMn3Cr square pyramids,  an edgeedge with one O(4)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)LiMn3Cr square pyramid, edges with three equivalent O(3)Li2Mn2Cr square pyramids, and edges with three equivalent O(6)Li2Mn2Cr square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Cr(2), one Mn(1), one Mn(2), and one Mn(4) atom to form OLiMn3Cr square pyramids that share  a cornercorner with one O(5)LiMn3Cr square pyramid, corners with two equivalent O(3)Li2Mn2Cr square pyramids, corners with two equivalent O(4)Li2Mn2Cr square pyramids, corners with two equivalent O(1)LiMn3Cr square pyramids, corners with two equivalent O(2)LiMn3Cr square pyramids,  an edgeedge with one O(6)Li2Mn2Cr square pyramid,  an edgeedge with one O(5)LiMn3Cr square pyramid, edges with three equivalent O(1)LiMn3Cr square pyramids, and edges with three equivalent O(2)LiMn3Cr square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(3), and one Mn(4) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(6)Li2Mn2Cr square pyramid, corners with two equivalent O(3)Li2Mn2Cr square pyramids, corners with two equivalent O(4)Li2Mn2Cr square pyramids, corners with two equivalent O(1)LiMn3Cr square pyramids, corners with two equivalent O(2)LiMn3Cr square pyramids,  an edgeedge with one O(6)Li2Mn2Cr square pyramid,  an edgeedge with one O(5)LiMn3Cr square pyramid, edges with three equivalent O(3)Li2Mn2Cr square pyramids, and edges with three equivalent O(4)Li2Mn2Cr square pyramids.
Li3Cr2Mn5O12 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. The Li(1)-O(1) bond length is 2.27 Å. The Li(1)-O(2) bond length is 2.32 Å. The Li(1)-O(3) bond length is 2.15 Å. The Li(1)-O(4) bond length is 2.08 Å. The Li(1)-O(5) bond length is 2.36 Å. The Li(1)-O(6) bond length is 2.02 Å. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Both Li(2)-O(3) bond lengths are 1.98 Å. Both Li(2)-O(4) bond lengths are 2.24 Å. Both Li(2)-O(6) bond lengths are 2.24 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. Both Cr(1)-O(3) bond lengths are 2.02 Å. Both Cr(1)-O(4) bond lengths are 2.02 Å. Both Cr(1)-O(6) bond lengths are 2.05 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. Both Cr(2)-O(1) bond lengths are 2.05 Å. Both Cr(2)-O(2) bond lengths are 2.06 Å. Both Cr(2)-O(5) bond lengths are 1.99 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. Both Mn(1)-O(1) bond lengths are 2.03 Å. Both Mn(1)-O(2) bond lengths are 2.13 Å. Both Mn(1)-O(5) bond lengths are 1.95 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. Both Mn(2)-O(1) bond lengths are 2.13 Å. Both Mn(2)-O(2) bond lengths are 1.93 Å. Both Mn(2)-O(5) bond lengths are 2.14 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. Both Mn(3)-O(3) bond lengths are 1.99 Å. Both Mn(3)-O(4) bond lengths are 1.97 Å. Both Mn(3)-O(6) bond lengths are 1.97 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. The Mn(4)-O(1) bond length is 2.20 Å. The Mn(4)-O(2) bond length is 2.18 Å. The Mn(4)-O(3) bond length is 2.16 Å. The Mn(4)-O(4) bond length is 2.06 Å. The Mn(4)-O(5) bond length is 2.30 Å. The Mn(4)-O(6) bond length is 2.07 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Cr(2), one Mn(1), one Mn(2), and one Mn(4) atom to form OLiMn3Cr square pyramids that share  a cornercorner with one O(1)LiMn3Cr square pyramid, corners with two equivalent O(3)Li2Mn2Cr square pyramids, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with two equivalent O(2)LiMn3Cr square pyramids, corners with two equivalent O(5)LiMn3Cr square pyramids,  an edgeedge with one O(4)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)LiMn3Cr square pyramid, edges with three equivalent O(2)LiMn3Cr square pyramids, and edges with three equivalent O(5)LiMn3Cr square pyramids. In the second O site, O(2) is bonded to one Li(1), one Cr(2), one Mn(1), one Mn(2), and one Mn(4) atom to form OLiMn3Cr square pyramids that share  a cornercorner with one O(2)LiMn3Cr square pyramid, corners with two equivalent O(4)Li2Mn2Cr square pyramids, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with two equivalent O(1)LiMn3Cr square pyramids, corners with two equivalent O(5)LiMn3Cr square pyramids,  an edgeedge with one O(3)Li2Mn2Cr square pyramid,  an edgeedge with one O(2)LiMn3Cr square pyramid, edges with three equivalent O(1)LiMn3Cr square pyramids, and edges with three equivalent O(5)LiMn3Cr square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(3), and one Mn(4) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(3)Li2Mn2Cr square pyramid, corners with two equivalent O(4)Li2Mn2Cr square pyramids, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with two equivalent O(1)LiMn3Cr square pyramids, corners with two equivalent O(5)LiMn3Cr square pyramids,  an edgeedge with one O(3)Li2Mn2Cr square pyramid,  an edgeedge with one O(2)LiMn3Cr square pyramid, edges with three equivalent O(4)Li2Mn2Cr square pyramids, and edges with three equivalent O(6)Li2Mn2Cr square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(3), and one Mn(4) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(4)Li2Mn2Cr square pyramid, corners with two equivalent O(3)Li2Mn2Cr square pyramids, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with two equivalent O(2)LiMn3Cr square pyramids, corners with two equivalent O(5)LiMn3Cr square pyramids,  an edgeedge with one O(4)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)LiMn3Cr square pyramid, edges with three equivalent O(3)Li2Mn2Cr square pyramids, and edges with three equivalent O(6)Li2Mn2Cr square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Cr(2), one Mn(1), one Mn(2), and one Mn(4) atom to form OLiMn3Cr square pyramids that share  a cornercorner with one O(5)LiMn3Cr square pyramid, corners with two equivalent O(3)Li2Mn2Cr square pyramids, corners with two equivalent O(4)Li2Mn2Cr square pyramids, corners with two equivalent O(1)LiMn3Cr square pyramids, corners with two equivalent O(2)LiMn3Cr square pyramids,  an edgeedge with one O(6)Li2Mn2Cr square pyramid,  an edgeedge with one O(5)LiMn3Cr square pyramid, edges with three equivalent O(1)LiMn3Cr square pyramids, and edges with three equivalent O(2)LiMn3Cr square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(3), and one Mn(4) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(6)Li2Mn2Cr square pyramid, corners with two equivalent O(3)Li2Mn2Cr square pyramids, corners with two equivalent O(4)Li2Mn2Cr square pyramids, corners with two equivalent O(1)LiMn3Cr square pyramids, corners with two equivalent O(2)LiMn3Cr square pyramids,  an edgeedge with one O(6)Li2Mn2Cr square pyramid,  an edgeedge with one O(5)LiMn3Cr square pyramid, edges with three equivalent O(3)Li2Mn2Cr square pyramids, and edges with three equivalent O(4)Li2Mn2Cr square pyramids.