Li4Mn5(CuO6)2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  an edgeedge with one Li(3)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,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-22°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(12), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-22°. In the fourth Li site, Li(4) is bonded to one O(10), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-18°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-21°. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second Cu site, Cu(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Mn(2), one Mn(3), and one Cu(1) atom to form OLi2Mn2Cu square pyramids that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(5)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid, corners with two equivalent O(12)Li2Mn2Cu square pyramids,  an edgeedge with one O(10)Li2Mn3Cu octahedra,  an edgeedge with one O(6)Li3Mn2Cu octahedra, edges with two equivalent O(7)Li3Mn2Cu octahedra, edges with two equivalent O(8)Li3Mn2Cu octahedra,  an edgeedge with one O(12)Li2Mn2Cu square pyramid, and  an edgeedge with one O(5)Li2Mn2Cu square pyramid. The corner-sharing octahedral tilt angles range from 7-13°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and one Cu(2) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(4), one Mn(5), and one Cu(2) atom to form distorted OLiMn3Cu square pyramids that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(12)Li2Mn2Cu square pyramid, corners with two equivalent O(5)Li2Mn2Cu square pyramids, corners with two equivalent O(11)LiMn3Cu square pyramids,  an edgeedge with one O(10)Li2Mn3Cu octahedra,  an edgeedge with one O(6)Li3Mn2Cu octahedra, edges with two equivalent O(4)Li2Mn3Cu octahedra, edges with two equivalent O(9)Li2Mn3Cu octahedra, and  an edgeedge with one O(11)LiMn3Cu square pyramid. The corner-sharing octahedral tilt angles range from 4-18°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Mn(1), one Mn(4), one Mn(5), and one Cu(2) atom to form OLi2Mn3Cu octahedra that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(12)Li2Mn2Cu square pyramid,  a cornercorner with one O(3)LiMn3Cu square pyramid,  an edgeedge with one O(6)Li3Mn2Cu octahedra,  an edgeedge with one O(7)Li3Mn2Cu octahedra, edges with two equivalent O(10)Li2Mn3Cu octahedra, edges with two equivalent O(9)Li2Mn3Cu octahedra,  an edgeedge with one O(5)Li2Mn2Cu square pyramid, edges with two equivalent O(11)LiMn3Cu square pyramids, and edges with two equivalent O(3)LiMn3Cu square pyramids. The corner-sharing octahedral tilt angles range from 3-15°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(2), one Mn(5), and one Cu(1) atom to form distorted OLi2Mn2Cu square pyramids that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid, corners with two equivalent O(12)Li2Mn2Cu square pyramids, corners with two equivalent O(3)LiMn3Cu square pyramids,  an edgeedge with one O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(8)Li3Mn2Cu octahedra, edges with two equivalent O(6)Li3Mn2Cu octahedra, edges with two equivalent O(7)Li3Mn2Cu octahedra,  an edgeedge with one O(1)Li2Mn2Cu square pyramid, and  an edgeedge with one O(12)Li2Mn2Cu square pyramid. The corner-sharing octahedral tilt angles range from 11-16°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), one Mn(5), and one Cu(1) atom to form OLi3Mn2Cu octahedra that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(5)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid,  an edgeedge with one O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(9)Li2Mn3Cu octahedra, edges with two equivalent O(7)Li3Mn2Cu octahedra, edges with two equivalent O(8)Li3Mn2Cu octahedra,  an edgeedge with one O(1)Li2Mn2Cu square pyramid,  an edgeedge with one O(3)LiMn3Cu square pyramid, edges with two equivalent O(12)Li2Mn2Cu square pyramids, and edges with two equivalent O(5)Li2Mn2Cu square pyramids. The corner-sharing octahedral tilt angles range from 3-13°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Cu(1) atom to form OLi3Mn2Cu octahedra that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(12)Li2Mn2Cu square pyramid,  a cornercorner with one O(3)LiMn3Cu square pyramid,  an edgeedge with one O(10)Li2Mn3Cu octahedra,  an edgeedge with one O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(9)Li2Mn3Cu octahedra, edges with two equivalent O(6)Li3Mn2Cu octahedra, edges with two equivalent O(8)Li3Mn2Cu octahedra,  an edgeedge with one O(12)Li2Mn2Cu square pyramid, edges with two equivalent O(1)Li2Mn2Cu square pyramids, and edges with two equivalent O(5)Li2Mn2Cu square pyramids. The corner-sharing octahedral tilt angles range from 3-9°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Cu(1) atom to form distorted OLi3Mn2Cu octahedra that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(5)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid,  an edgeedge with one O(10)Li2Mn3Cu octahedra,  an edgeedge with one O(9)Li2Mn3Cu octahedra, edges with two equivalent O(6)Li3Mn2Cu octahedra, edges with two equivalent O(7)Li3Mn2Cu octahedra,  an edgeedge with one O(5)Li2Mn2Cu square pyramid, edges with two equivalent O(1)Li2Mn2Cu square pyramids, and edges with two equivalent O(12)Li2Mn2Cu square pyramids. The corner-sharing octahedral tilt angles range from 2-15°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Mn(1), one Mn(3), one Mn(4), and one Cu(2) atom to form OLi2Mn3Cu octahedra that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(5)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid,  an edgeedge with one O(6)Li3Mn2Cu octahedra,  an edgeedge with one O(7)Li3Mn2Cu octahedra,  an edgeedge with one O(8)Li3Mn2Cu octahedra, edges with two equivalent O(10)Li2Mn3Cu octahedra, edges with two equivalent O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(11)LiMn3Cu square pyramid, and edges with two equivalent O(3)LiMn3Cu square pyramids. The corner-sharing octahedral tilt angles range from 3-12°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(3), one Mn(4), and one Cu(2) atom to form distorted OLi2Mn3Cu octahedra that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(12)Li2Mn2Cu square pyramid,  a cornercorner with one O(3)LiMn3Cu square pyramid,  an edgeedge with one O(7)Li3Mn2Cu octahedra,  an edgeedge with one O(8)Li3Mn2Cu octahedra, edges with two equivalent O(4)Li2Mn3Cu octahedra, edges with two equivalent O(9)Li2Mn3Cu octahedra,  an edgeedge with one O(1)Li2Mn2Cu square pyramid,  an edgeedge with one O(3)LiMn3Cu square pyramid, and edges with two equivalent O(11)LiMn3Cu square pyramids. The corner-sharing octahedral tilt angles range from 2-13°. In the eleventh O site, O(11) is bonded to one Li(2), one Mn(1), one Mn(4), one Mn(5), and one Cu(2) atom to form OLiMn3Cu square pyramids that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(5)Li2Mn2Cu square pyramid, corners with two equivalent O(3)LiMn3Cu square pyramids,  an edgeedge with one O(9)Li2Mn3Cu octahedra, edges with two equivalent O(10)Li2Mn3Cu octahedra, edges with two equivalent O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(12)Li2Mn2Cu square pyramid, and  an edgeedge with one O(3)LiMn3Cu square pyramid. The corner-sharing octahedral tilt angles range from 3-19°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Mn(2), one Mn(5), and one Cu(1) atom to form OLi2Mn2Cu square pyramids that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(3)LiMn3Cu square pyramid, corners with two equivalent O(1)Li2Mn2Cu square pyramids, corners with two equivalent O(5)Li2Mn2Cu square pyramids,  an edgeedge with one O(7)Li3Mn2Cu octahedra, edges with two equivalent O(6)Li3Mn2Cu octahedra, edges with two equivalent O(8)Li3Mn2Cu octahedra,  an edgeedge with one O(1)Li2Mn2Cu square pyramid,  an edgeedge with one O(5)Li2Mn2Cu square pyramid, and  an edgeedge with one O(11)LiMn3Cu square pyramid. The corner-sharing octahedral tilt angles range from 2-4°.
Li4Mn5(CuO6)2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  an edgeedge with one Li(3)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,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-22°. The Li(1)-O(3) bond length is 2.07 Å. The Li(1)-O(4) bond length is 2.46 Å. The Li(1)-O(5) bond length is 1.99 Å. The Li(1)-O(6) bond length is 2.28 Å. The Li(1)-O(7) bond length is 2.20 Å. The Li(1)-O(9) bond length is 2.29 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(12), and one O(8) atom. The Li(2)-O(1) bond length is 2.30 Å. The Li(2)-O(10) bond length is 2.16 Å. The Li(2)-O(11) bond length is 2.16 Å. The Li(2)-O(12) bond length is 2.10 Å. The Li(2)-O(8) bond length is 2.02 Å. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-22°. The Li(3)-O(1) bond length is 2.11 Å. The Li(3)-O(12) bond length is 2.14 Å. The Li(3)-O(5) bond length is 2.06 Å. The Li(3)-O(6) bond length is 2.18 Å. The Li(3)-O(7) bond length is 2.20 Å. The Li(3)-O(8) bond length is 2.23 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-18°. The Li(4)-O(10) bond length is 2.08 Å. The Li(4)-O(4) bond length is 2.22 Å. The Li(4)-O(6) bond length is 2.25 Å. The Li(4)-O(7) bond length is 2.12 Å. The Li(4)-O(8) bond length is 2.06 Å. The Li(4)-O(9) bond length is 2.30 Å. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. The Mn(1)-O(10) bond length is 2.17 Å. The Mn(1)-O(11) bond length is 1.99 Å. The Mn(1)-O(2) bond length is 2.03 Å. The Mn(1)-O(3) bond length is 1.95 Å. The Mn(1)-O(4) bond length is 2.00 Å. The Mn(1)-O(9) bond length is 2.17 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. The Mn(2)-O(1) bond length is 2.03 Å. The Mn(2)-O(12) bond length is 1.95 Å. The Mn(2)-O(5) bond length is 1.95 Å. The Mn(2)-O(6) bond length is 2.02 Å. The Mn(2)-O(7) bond length is 1.93 Å. The Mn(2)-O(8) bond length is 1.96 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. The Mn(3)-O(1) bond length is 1.96 Å. The Mn(3)-O(10) bond length is 1.97 Å. The Mn(3)-O(2) bond length is 2.26 Å. The Mn(3)-O(7) bond length is 2.26 Å. The Mn(3)-O(8) bond length is 1.93 Å. The Mn(3)-O(9) bond length is 1.97 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-21°. The Mn(4)-O(10) bond length is 1.98 Å. The Mn(4)-O(11) bond length is 2.15 Å. The Mn(4)-O(2) bond length is 1.95 Å. The Mn(4)-O(3) bond length is 2.09 Å. The Mn(4)-O(4) bond length is 2.09 Å. The Mn(4)-O(9) bond length is 2.11 Å. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Mn(5)-O(11) bond length is 2.09 Å. The Mn(5)-O(12) bond length is 2.13 Å. The Mn(5)-O(3) bond length is 1.99 Å. The Mn(5)-O(4) bond length is 2.16 Å. The Mn(5)-O(5) bond length is 1.92 Å. The Mn(5)-O(6) bond length is 2.03 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. The Cu(1)-O(1) bond length is 1.94 Å. The Cu(1)-O(12) bond length is 1.94 Å. The Cu(1)-O(5) bond length is 2.41 Å. The Cu(1)-O(6) bond length is 1.96 Å. The Cu(1)-O(7) bond length is 1.95 Å. The Cu(1)-O(8) bond length is 2.50 Å. In the second Cu site, Cu(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Cu(2)-O(10) bond length is 2.55 Å. The Cu(2)-O(11) bond length is 2.05 Å. The Cu(2)-O(2) bond length is 2.01 Å. The Cu(2)-O(3) bond length is 2.47 Å. The Cu(2)-O(4) bond length is 2.04 Å. The Cu(2)-O(9) bond length is 2.05 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Mn(2), one Mn(3), and one Cu(1) atom to form OLi2Mn2Cu square pyramids that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(5)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid, corners with two equivalent O(12)Li2Mn2Cu square pyramids,  an edgeedge with one O(10)Li2Mn3Cu octahedra,  an edgeedge with one O(6)Li3Mn2Cu octahedra, edges with two equivalent O(7)Li3Mn2Cu octahedra, edges with two equivalent O(8)Li3Mn2Cu octahedra,  an edgeedge with one O(12)Li2Mn2Cu square pyramid, and  an edgeedge with one O(5)Li2Mn2Cu square pyramid. The corner-sharing octahedral tilt angles range from 7-13°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and one Cu(2) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(4), one Mn(5), and one Cu(2) atom to form distorted OLiMn3Cu square pyramids that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(12)Li2Mn2Cu square pyramid, corners with two equivalent O(5)Li2Mn2Cu square pyramids, corners with two equivalent O(11)LiMn3Cu square pyramids,  an edgeedge with one O(10)Li2Mn3Cu octahedra,  an edgeedge with one O(6)Li3Mn2Cu octahedra, edges with two equivalent O(4)Li2Mn3Cu octahedra, edges with two equivalent O(9)Li2Mn3Cu octahedra, and  an edgeedge with one O(11)LiMn3Cu square pyramid. The corner-sharing octahedral tilt angles range from 4-18°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Mn(1), one Mn(4), one Mn(5), and one Cu(2) atom to form OLi2Mn3Cu octahedra that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(12)Li2Mn2Cu square pyramid,  a cornercorner with one O(3)LiMn3Cu square pyramid,  an edgeedge with one O(6)Li3Mn2Cu octahedra,  an edgeedge with one O(7)Li3Mn2Cu octahedra, edges with two equivalent O(10)Li2Mn3Cu octahedra, edges with two equivalent O(9)Li2Mn3Cu octahedra,  an edgeedge with one O(5)Li2Mn2Cu square pyramid, edges with two equivalent O(11)LiMn3Cu square pyramids, and edges with two equivalent O(3)LiMn3Cu square pyramids. The corner-sharing octahedral tilt angles range from 3-15°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(2), one Mn(5), and one Cu(1) atom to form distorted OLi2Mn2Cu square pyramids that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid, corners with two equivalent O(12)Li2Mn2Cu square pyramids, corners with two equivalent O(3)LiMn3Cu square pyramids,  an edgeedge with one O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(8)Li3Mn2Cu octahedra, edges with two equivalent O(6)Li3Mn2Cu octahedra, edges with two equivalent O(7)Li3Mn2Cu octahedra,  an edgeedge with one O(1)Li2Mn2Cu square pyramid, and  an edgeedge with one O(12)Li2Mn2Cu square pyramid. The corner-sharing octahedral tilt angles range from 11-16°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), one Mn(5), and one Cu(1) atom to form OLi3Mn2Cu octahedra that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(5)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid,  an edgeedge with one O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(9)Li2Mn3Cu octahedra, edges with two equivalent O(7)Li3Mn2Cu octahedra, edges with two equivalent O(8)Li3Mn2Cu octahedra,  an edgeedge with one O(1)Li2Mn2Cu square pyramid,  an edgeedge with one O(3)LiMn3Cu square pyramid, edges with two equivalent O(12)Li2Mn2Cu square pyramids, and edges with two equivalent O(5)Li2Mn2Cu square pyramids. The corner-sharing octahedral tilt angles range from 3-13°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Cu(1) atom to form OLi3Mn2Cu octahedra that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(12)Li2Mn2Cu square pyramid,  a cornercorner with one O(3)LiMn3Cu square pyramid,  an edgeedge with one O(10)Li2Mn3Cu octahedra,  an edgeedge with one O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(9)Li2Mn3Cu octahedra, edges with two equivalent O(6)Li3Mn2Cu octahedra, edges with two equivalent O(8)Li3Mn2Cu octahedra,  an edgeedge with one O(12)Li2Mn2Cu square pyramid, edges with two equivalent O(1)Li2Mn2Cu square pyramids, and edges with two equivalent O(5)Li2Mn2Cu square pyramids. The corner-sharing octahedral tilt angles range from 3-9°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Cu(1) atom to form distorted OLi3Mn2Cu octahedra that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(5)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid,  an edgeedge with one O(10)Li2Mn3Cu octahedra,  an edgeedge with one O(9)Li2Mn3Cu octahedra, edges with two equivalent O(6)Li3Mn2Cu octahedra, edges with two equivalent O(7)Li3Mn2Cu octahedra,  an edgeedge with one O(5)Li2Mn2Cu square pyramid, edges with two equivalent O(1)Li2Mn2Cu square pyramids, and edges with two equivalent O(12)Li2Mn2Cu square pyramids. The corner-sharing octahedral tilt angles range from 2-15°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Mn(1), one Mn(3), one Mn(4), and one Cu(2) atom to form OLi2Mn3Cu octahedra that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(5)Li2Mn2Cu square pyramid,  a cornercorner with one O(11)LiMn3Cu square pyramid,  an edgeedge with one O(6)Li3Mn2Cu octahedra,  an edgeedge with one O(7)Li3Mn2Cu octahedra,  an edgeedge with one O(8)Li3Mn2Cu octahedra, edges with two equivalent O(10)Li2Mn3Cu octahedra, edges with two equivalent O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(11)LiMn3Cu square pyramid, and edges with two equivalent O(3)LiMn3Cu square pyramids. The corner-sharing octahedral tilt angles range from 3-12°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(3), one Mn(4), and one Cu(2) atom to form distorted OLi2Mn3Cu octahedra that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(12)Li2Mn2Cu square pyramid,  a cornercorner with one O(3)LiMn3Cu square pyramid,  an edgeedge with one O(7)Li3Mn2Cu octahedra,  an edgeedge with one O(8)Li3Mn2Cu octahedra, edges with two equivalent O(4)Li2Mn3Cu octahedra, edges with two equivalent O(9)Li2Mn3Cu octahedra,  an edgeedge with one O(1)Li2Mn2Cu square pyramid,  an edgeedge with one O(3)LiMn3Cu square pyramid, and edges with two equivalent O(11)LiMn3Cu square pyramids. The corner-sharing octahedral tilt angles range from 2-13°. In the eleventh O site, O(11) is bonded to one Li(2), one Mn(1), one Mn(4), one Mn(5), and one Cu(2) atom to form OLiMn3Cu square pyramids that share  a cornercorner with one O(9)Li2Mn3Cu octahedra,  a cornercorner with one O(6)Li3Mn2Cu octahedra,  a cornercorner with one O(8)Li3Mn2Cu octahedra,  a cornercorner with one O(1)Li2Mn2Cu square pyramid,  a cornercorner with one O(5)Li2Mn2Cu square pyramid, corners with two equivalent O(3)LiMn3Cu square pyramids,  an edgeedge with one O(9)Li2Mn3Cu octahedra, edges with two equivalent O(10)Li2Mn3Cu octahedra, edges with two equivalent O(4)Li2Mn3Cu octahedra,  an edgeedge with one O(12)Li2Mn2Cu square pyramid, and  an edgeedge with one O(3)LiMn3Cu square pyramid. The corner-sharing octahedral tilt angles range from 3-19°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Mn(2), one Mn(5), and one Cu(1) atom to form OLi2Mn2Cu square pyramids that share  a cornercorner with one O(10)Li2Mn3Cu octahedra,  a cornercorner with one O(4)Li2Mn3Cu octahedra,  a cornercorner with one O(7)Li3Mn2Cu octahedra,  a cornercorner with one O(3)LiMn3Cu square pyramid, corners with two equivalent O(1)Li2Mn2Cu square pyramids, corners with two equivalent O(5)Li2Mn2Cu square pyramids,  an edgeedge with one O(7)Li3Mn2Cu octahedra, edges with two equivalent O(6)Li3Mn2Cu octahedra, edges with two equivalent O(8)Li3Mn2Cu octahedra,  an edgeedge with one O(1)Li2Mn2Cu square pyramid,  an edgeedge with one O(5)Li2Mn2Cu square pyramid, and  an edgeedge with one O(11)LiMn3Cu square pyramid. The corner-sharing octahedral tilt angles range from 2-4°.