Li6Mn5Ni3O16 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(4), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-46°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(4), one O(6), 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 Ni(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-51°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(2), one O(3), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-51°. In the fourth Li site, Li(4) is bonded to one O(12), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-50°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-49°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(3), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-51°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(7), two equivalent O(6), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-52°. In the second Ni site, Ni(2) is bonded to one O(11), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Mn(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(3), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(2), and one Ni(1) atom to form OLi2Mn2Ni square pyramids that share  a cornercorner with one O(2)Li2Mn2Ni square pyramid,  a cornercorner with one O(5)Li2MnNi2 square pyramid,  a cornercorner with one O(10)Li2MnNi2 trigonal bipyramid, corners with three equivalent O(3)Li2Mn2Ni trigonal bipyramids, corners with three equivalent O(6)Li2Mn2Ni trigonal bipyramids, edges with two equivalent O(12)Li3MnNi2 octahedra,  an edgeedge with one O(4)Li3MnNi2 pentagonal pyramid,  an edgeedge with one O(2)Li2Mn2Ni square pyramid,  an edgeedge with one O(5)Li2MnNi2 square pyramid, and  an edgeedge with one O(3)Li2Mn2Ni trigonal bipyramid. In the third O site, O(3) is bonded to one Li(3), one Li(4), one Mn(2), one Mn(3), and one Ni(2) atom to form distorted OLi2Mn2Ni trigonal bipyramids that share  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with three equivalent O(2)Li2Mn2Ni square pyramids, corners with three equivalent O(9)Li2Mn2Ni square pyramids,  a cornercorner with one O(3)Li2Mn2Ni trigonal bipyramid,  an edgeedge with one O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(12)Li3MnNi2 octahedra,  an edgeedge with one O(2)Li2Mn2Ni square pyramid,  an edgeedge with one O(5)Li2MnNi2 square pyramid, and  an edgeedge with one O(3)Li2Mn2Ni trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Ni(1) atoms to form distorted OLi3MnNi2 pentagonal pyramids that share corners with three equivalent O(11)Li3Mn2Ni octahedra, corners with three equivalent O(12)Li3MnNi2 octahedra,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2MnNi2 square pyramid, edges with two equivalent O(2)Li2Mn2Ni square pyramids, edges with two equivalent O(9)Li2Mn2Ni square pyramids, edges with two equivalent O(10)Li2MnNi2 trigonal bipyramids, and edges with four equivalent O(6)Li2Mn2Ni trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the fifth O site, O(5) is bonded to two equivalent Li(3), one Mn(2), and two equivalent Ni(1) atoms to form distorted OLi2MnNi2 square pyramids that share corners with two equivalent O(2)Li2Mn2Ni square pyramids, corners with two equivalent O(6)Li2Mn2Ni trigonal bipyramids, corners with two equivalent O(10)Li2MnNi2 trigonal bipyramids, edges with two equivalent O(12)Li3MnNi2 octahedra,  an edgeedge with one O(4)Li3MnNi2 pentagonal pyramid, edges with two equivalent O(2)Li2Mn2Ni square pyramids, and edges with two equivalent O(3)Li2Mn2Ni trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(4), and one Ni(1) atom to form distorted OLi2Mn2Ni trigonal bipyramids that share  a cornercorner with one O(5)Li2MnNi2 square pyramid, corners with three equivalent O(2)Li2Mn2Ni square pyramids, corners with three equivalent O(9)Li2Mn2Ni square pyramids,  a cornercorner with one O(6)Li2Mn2Ni trigonal bipyramid,  a cornercorner with one O(10)Li2MnNi2 trigonal bipyramid,  an edgeedge with one O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(12)Li3MnNi2 octahedra, edges with two equivalent O(4)Li3MnNi2 pentagonal pyramids,  an edgeedge with one O(9)Li2Mn2Ni square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn2Ni trigonal bipyramid, and  an edgeedge with one O(10)Li2MnNi2 trigonal bipyramid. In the seventh O site, O(7) is bonded to two equivalent Li(2), one Mn(4), and two equivalent Mn(3) atoms to form OLi2Mn3 square pyramids that share corners with two equivalent O(9)Li2Mn2Ni square pyramids, corners with two equivalent O(3)Li2Mn2Ni trigonal bipyramids, corners with three equivalent O(10)Li2MnNi2 trigonal bipyramids, edges with two equivalent O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(4)Li3MnNi2 pentagonal pyramid, edges with two equivalent O(9)Li2Mn2Ni square pyramids, and edges with two equivalent O(6)Li2Mn2Ni trigonal bipyramids. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(4), two equivalent Li(3), two equivalent Mn(3), and one Ni(2) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Mn(3), one Mn(4), and one Ni(2) atom to form OLi2Mn2Ni square pyramids that share  a cornercorner with one O(9)Li2Mn2Ni square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with three equivalent O(3)Li2Mn2Ni trigonal bipyramids, corners with three equivalent O(6)Li2Mn2Ni trigonal bipyramids, edges with two equivalent O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(4)Li3MnNi2 pentagonal pyramid,  an edgeedge with one O(9)Li2Mn2Ni square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn2Ni trigonal bipyramid, and  an edgeedge with one O(10)Li2MnNi2 trigonal bipyramid. In the tenth O site, O(10) is bonded to two equivalent Li(2), one Mn(4), and two equivalent Ni(1) atoms to form distorted OLi2MnNi2 trigonal bipyramids that share corners with two equivalent O(2)Li2Mn2Ni square pyramids, corners with two equivalent O(5)Li2MnNi2 square pyramids, corners with three equivalent O(7)Li2Mn3 square pyramids, corners with two equivalent O(6)Li2Mn2Ni trigonal bipyramids,  an edgeedge with one O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(12)Li3MnNi2 octahedra, edges with two equivalent O(4)Li3MnNi2 pentagonal pyramids, edges with two equivalent O(9)Li2Mn2Ni square pyramids, and edges with two equivalent O(6)Li2Mn2Ni trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(3), and one Ni(2) atom to form OLi3Mn2Ni octahedra that share corners with three equivalent O(4)Li3MnNi2 pentagonal pyramids, edges with two equivalent O(7)Li2Mn3 square pyramids, edges with four equivalent O(9)Li2Mn2Ni square pyramids,  an edgeedge with one O(10)Li2MnNi2 trigonal bipyramid, edges with two equivalent O(3)Li2Mn2Ni trigonal bipyramids, and edges with two equivalent O(6)Li2Mn2Ni trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(4), two equivalent Li(3), one Mn(1), and two equivalent Ni(1) atoms to form OLi3MnNi2 octahedra that share corners with three equivalent O(4)Li3MnNi2 pentagonal pyramids, edges with two equivalent O(5)Li2MnNi2 square pyramids, edges with four equivalent O(2)Li2Mn2Ni square pyramids,  an edgeedge with one O(10)Li2MnNi2 trigonal bipyramid, edges with two equivalent O(3)Li2Mn2Ni trigonal bipyramids, and edges with two equivalent O(6)Li2Mn2Ni trigonal bipyramids.
Li6Mn5Ni3O16 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(4), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-46°. The Li(1)-O(11) bond length is 2.05 Å. The Li(1)-O(4) bond length is 2.03 Å. Both Li(1)-O(6) bond lengths are 2.15 Å. Both Li(1)-O(9) bond lengths are 1.96 Å. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(4), one O(6), 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 Ni(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-51°. The Li(2)-O(10) bond length is 2.06 Å. The Li(2)-O(11) bond length is 2.20 Å. The Li(2)-O(4) bond length is 2.14 Å. The Li(2)-O(6) bond length is 2.23 Å. The Li(2)-O(7) bond length is 2.08 Å. The Li(2)-O(9) bond length is 2.03 Å. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(2), one O(3), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-51°. The Li(3)-O(1) bond length is 2.27 Å. The Li(3)-O(12) bond length is 1.97 Å. The Li(3)-O(2) bond length is 1.96 Å. The Li(3)-O(3) bond length is 2.17 Å. The Li(3)-O(5) bond length is 1.92 Å. The Li(3)-O(8) bond length is 2.22 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-50°. The Li(4)-O(12) bond length is 2.13 Å. The Li(4)-O(8) bond length is 2.40 Å. Both Li(4)-O(2) bond lengths are 2.00 Å. Both Li(4)-O(3) bond lengths are 2.20 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-49°. The Mn(1)-O(12) bond length is 1.93 Å. The Mn(1)-O(4) bond length is 1.93 Å. Both Mn(1)-O(2) bond lengths are 1.98 Å. Both Mn(1)-O(6) bond lengths are 1.99 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Mn(2)-O(1) bond length is 2.14 Å. The Mn(2)-O(5) bond length is 1.88 Å. Both Mn(2)-O(2) bond lengths are 1.97 Å. Both Mn(2)-O(3) bond lengths are 1.96 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(3), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-51°. The Mn(3)-O(1) bond length is 1.97 Å. The Mn(3)-O(11) bond length is 1.94 Å. The Mn(3)-O(3) bond length is 1.97 Å. The Mn(3)-O(7) bond length is 1.99 Å. The Mn(3)-O(8) bond length is 1.93 Å. The Mn(3)-O(9) bond length is 1.93 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(7), two equivalent O(6), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Mn(4)-O(10) bond length is 1.86 Å. The Mn(4)-O(7) bond length is 2.10 Å. Both Mn(4)-O(6) bond lengths are 1.95 Å. Both Mn(4)-O(9) bond lengths are 2.00 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-52°. The Ni(1)-O(10) bond length is 2.07 Å. The Ni(1)-O(12) bond length is 2.01 Å. The Ni(1)-O(2) bond length is 2.14 Å. The Ni(1)-O(4) bond length is 2.02 Å. The Ni(1)-O(5) bond length is 2.06 Å. The Ni(1)-O(6) bond length is 2.11 Å. In the second Ni site, Ni(2) is bonded to one O(11), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Mn(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-52°. The Ni(2)-O(11) bond length is 2.04 Å. The Ni(2)-O(8) bond length is 2.03 Å. Both Ni(2)-O(3) bond lengths are 2.07 Å. Both Ni(2)-O(9) bond lengths are 2.09 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(3), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(2), and one Ni(1) atom to form OLi2Mn2Ni square pyramids that share  a cornercorner with one O(2)Li2Mn2Ni square pyramid,  a cornercorner with one O(5)Li2MnNi2 square pyramid,  a cornercorner with one O(10)Li2MnNi2 trigonal bipyramid, corners with three equivalent O(3)Li2Mn2Ni trigonal bipyramids, corners with three equivalent O(6)Li2Mn2Ni trigonal bipyramids, edges with two equivalent O(12)Li3MnNi2 octahedra,  an edgeedge with one O(4)Li3MnNi2 pentagonal pyramid,  an edgeedge with one O(2)Li2Mn2Ni square pyramid,  an edgeedge with one O(5)Li2MnNi2 square pyramid, and  an edgeedge with one O(3)Li2Mn2Ni trigonal bipyramid. In the third O site, O(3) is bonded to one Li(3), one Li(4), one Mn(2), one Mn(3), and one Ni(2) atom to form distorted OLi2Mn2Ni trigonal bipyramids that share  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with three equivalent O(2)Li2Mn2Ni square pyramids, corners with three equivalent O(9)Li2Mn2Ni square pyramids,  a cornercorner with one O(3)Li2Mn2Ni trigonal bipyramid,  an edgeedge with one O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(12)Li3MnNi2 octahedra,  an edgeedge with one O(2)Li2Mn2Ni square pyramid,  an edgeedge with one O(5)Li2MnNi2 square pyramid, and  an edgeedge with one O(3)Li2Mn2Ni trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Ni(1) atoms to form distorted OLi3MnNi2 pentagonal pyramids that share corners with three equivalent O(11)Li3Mn2Ni octahedra, corners with three equivalent O(12)Li3MnNi2 octahedra,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2MnNi2 square pyramid, edges with two equivalent O(2)Li2Mn2Ni square pyramids, edges with two equivalent O(9)Li2Mn2Ni square pyramids, edges with two equivalent O(10)Li2MnNi2 trigonal bipyramids, and edges with four equivalent O(6)Li2Mn2Ni trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the fifth O site, O(5) is bonded to two equivalent Li(3), one Mn(2), and two equivalent Ni(1) atoms to form distorted OLi2MnNi2 square pyramids that share corners with two equivalent O(2)Li2Mn2Ni square pyramids, corners with two equivalent O(6)Li2Mn2Ni trigonal bipyramids, corners with two equivalent O(10)Li2MnNi2 trigonal bipyramids, edges with two equivalent O(12)Li3MnNi2 octahedra,  an edgeedge with one O(4)Li3MnNi2 pentagonal pyramid, edges with two equivalent O(2)Li2Mn2Ni square pyramids, and edges with two equivalent O(3)Li2Mn2Ni trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(4), and one Ni(1) atom to form distorted OLi2Mn2Ni trigonal bipyramids that share  a cornercorner with one O(5)Li2MnNi2 square pyramid, corners with three equivalent O(2)Li2Mn2Ni square pyramids, corners with three equivalent O(9)Li2Mn2Ni square pyramids,  a cornercorner with one O(6)Li2Mn2Ni trigonal bipyramid,  a cornercorner with one O(10)Li2MnNi2 trigonal bipyramid,  an edgeedge with one O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(12)Li3MnNi2 octahedra, edges with two equivalent O(4)Li3MnNi2 pentagonal pyramids,  an edgeedge with one O(9)Li2Mn2Ni square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn2Ni trigonal bipyramid, and  an edgeedge with one O(10)Li2MnNi2 trigonal bipyramid. In the seventh O site, O(7) is bonded to two equivalent Li(2), one Mn(4), and two equivalent Mn(3) atoms to form OLi2Mn3 square pyramids that share corners with two equivalent O(9)Li2Mn2Ni square pyramids, corners with two equivalent O(3)Li2Mn2Ni trigonal bipyramids, corners with three equivalent O(10)Li2MnNi2 trigonal bipyramids, edges with two equivalent O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(4)Li3MnNi2 pentagonal pyramid, edges with two equivalent O(9)Li2Mn2Ni square pyramids, and edges with two equivalent O(6)Li2Mn2Ni trigonal bipyramids. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(4), two equivalent Li(3), two equivalent Mn(3), and one Ni(2) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Mn(3), one Mn(4), and one Ni(2) atom to form OLi2Mn2Ni square pyramids that share  a cornercorner with one O(9)Li2Mn2Ni square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with three equivalent O(3)Li2Mn2Ni trigonal bipyramids, corners with three equivalent O(6)Li2Mn2Ni trigonal bipyramids, edges with two equivalent O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(4)Li3MnNi2 pentagonal pyramid,  an edgeedge with one O(9)Li2Mn2Ni square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn2Ni trigonal bipyramid, and  an edgeedge with one O(10)Li2MnNi2 trigonal bipyramid. In the tenth O site, O(10) is bonded to two equivalent Li(2), one Mn(4), and two equivalent Ni(1) atoms to form distorted OLi2MnNi2 trigonal bipyramids that share corners with two equivalent O(2)Li2Mn2Ni square pyramids, corners with two equivalent O(5)Li2MnNi2 square pyramids, corners with three equivalent O(7)Li2Mn3 square pyramids, corners with two equivalent O(6)Li2Mn2Ni trigonal bipyramids,  an edgeedge with one O(11)Li3Mn2Ni octahedra,  an edgeedge with one O(12)Li3MnNi2 octahedra, edges with two equivalent O(4)Li3MnNi2 pentagonal pyramids, edges with two equivalent O(9)Li2Mn2Ni square pyramids, and edges with two equivalent O(6)Li2Mn2Ni trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(3), and one Ni(2) atom to form OLi3Mn2Ni octahedra that share corners with three equivalent O(4)Li3MnNi2 pentagonal pyramids, edges with two equivalent O(7)Li2Mn3 square pyramids, edges with four equivalent O(9)Li2Mn2Ni square pyramids,  an edgeedge with one O(10)Li2MnNi2 trigonal bipyramid, edges with two equivalent O(3)Li2Mn2Ni trigonal bipyramids, and edges with two equivalent O(6)Li2Mn2Ni trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(4), two equivalent Li(3), one Mn(1), and two equivalent Ni(1) atoms to form OLi3MnNi2 octahedra that share corners with three equivalent O(4)Li3MnNi2 pentagonal pyramids, edges with two equivalent O(5)Li2MnNi2 square pyramids, edges with four equivalent O(2)Li2Mn2Ni square pyramids,  an edgeedge with one O(10)Li2MnNi2 trigonal bipyramid, edges with two equivalent O(3)Li2Mn2Ni trigonal bipyramids, and edges with two equivalent O(6)Li2Mn2Ni trigonal bipyramids.