Li5Mn2Ni3O10 is beta Polonium-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2MnNi3 octahedra that share  a cornercorner with one O(1)Li2MnNi3 octahedra,  a cornercorner with one O(2)Li2MnNi3 octahedra,  a cornercorner with one O(4)Li3MnNi2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(5)Li4MnNi octahedra,  an edgeedge with one O(1)Li2MnNi3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(5)Li4MnNi octahedra, edges with three equivalent O(4)Li3MnNi2 octahedra, and edges with four equivalent O(2)Li2MnNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2MnNi3 octahedra that share  a cornercorner with one O(1)Li2MnNi3 octahedra,  a cornercorner with one O(2)Li2MnNi3 octahedra,  a cornercorner with one O(4)Li3MnNi2 octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(3)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li2MnNi3 octahedra, edges with two equivalent O(5)Li4MnNi octahedra, edges with three equivalent O(4)Li3MnNi2 octahedra, and edges with four equivalent O(1)Li2MnNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li2MnNi3 octahedra,  a cornercorner with one O(4)Li3MnNi2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(2)Li2MnNi3 octahedra,  an edgeedge with one O(2)Li2MnNi3 octahedra, edges with two equivalent O(1)Li2MnNi3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with three equivalent O(4)Li3MnNi2 octahedra, and edges with four equivalent O(5)Li4MnNi octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Ni(1), and one Ni(2) atom to form OLi3MnNi2 octahedra that share  a cornercorner with one O(1)Li2MnNi3 octahedra,  a cornercorner with one O(2)Li2MnNi3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(4)Li3MnNi2 octahedra, edges with three equivalent O(1)Li2MnNi3 octahedra, edges with three equivalent O(2)Li2MnNi3 octahedra, edges with three equivalent O(3)Li4Mn2 octahedra, and edges with three equivalent O(5)Li4MnNi octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Mn(1), and one Ni(2) atom to form OLi4MnNi octahedra that share  a cornercorner with one O(2)Li2MnNi3 octahedra,  a cornercorner with one O(4)Li3MnNi2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(1)Li2MnNi3 octahedra,  an edgeedge with one O(5)Li4MnNi octahedra, edges with two equivalent O(1)Li2MnNi3 octahedra, edges with two equivalent O(2)Li2MnNi3 octahedra, edges with three equivalent O(4)Li3MnNi2 octahedra, and edges with four equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°.
Li5Mn2Ni3O10 is beta Polonium-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The Li(1)-O(1) bond length is 2.15 Å. The Li(1)-O(4) bond length is 2.10 Å. There is one shorter (2.12 Å) and one longer (2.21 Å) Li(1)-O(3) bond length. There is one shorter (2.09 Å) and one longer (2.13 Å) Li(1)-O(5) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Li(2)-O(1) bond length is 2.09 Å. The Li(2)-O(3) bond length is 2.18 Å. The Li(2)-O(4) bond length is 2.14 Å. The Li(2)-O(5) bond length is 2.03 Å. There is one shorter (2.14 Å) and one longer (2.29 Å) Li(2)-O(2) bond length. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Both Li(3)-O(3) bond lengths are 2.06 Å. Both Li(3)-O(4) bond lengths are 2.22 Å. Both Li(3)-O(5) bond lengths are 2.09 Å. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 1.97 Å. The Mn(1)-O(4) bond length is 1.98 Å. The Mn(1)-O(5) bond length is 1.89 Å. There is one shorter (1.91 Å) and one longer (1.95 Å) Mn(1)-O(3) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. Both Ni(1)-O(1) bond lengths are 2.20 Å. Both Ni(1)-O(2) bond lengths are 2.01 Å. Both Ni(1)-O(4) bond lengths are 1.96 Å. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The Ni(2)-O(4) bond length is 2.06 Å. The Ni(2)-O(5) bond length is 2.03 Å. There is one shorter (2.05 Å) and one longer (2.09 Å) Ni(2)-O(1) bond length. There is one shorter (2.08 Å) and one longer (2.12 Å) Ni(2)-O(2) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2MnNi3 octahedra that share  a cornercorner with one O(1)Li2MnNi3 octahedra,  a cornercorner with one O(2)Li2MnNi3 octahedra,  a cornercorner with one O(4)Li3MnNi2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(5)Li4MnNi octahedra,  an edgeedge with one O(1)Li2MnNi3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(5)Li4MnNi octahedra, edges with three equivalent O(4)Li3MnNi2 octahedra, and edges with four equivalent O(2)Li2MnNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2MnNi3 octahedra that share  a cornercorner with one O(1)Li2MnNi3 octahedra,  a cornercorner with one O(2)Li2MnNi3 octahedra,  a cornercorner with one O(4)Li3MnNi2 octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(3)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li2MnNi3 octahedra, edges with two equivalent O(5)Li4MnNi octahedra, edges with three equivalent O(4)Li3MnNi2 octahedra, and edges with four equivalent O(1)Li2MnNi3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li2MnNi3 octahedra,  a cornercorner with one O(4)Li3MnNi2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(2)Li2MnNi3 octahedra,  an edgeedge with one O(2)Li2MnNi3 octahedra, edges with two equivalent O(1)Li2MnNi3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with three equivalent O(4)Li3MnNi2 octahedra, and edges with four equivalent O(5)Li4MnNi octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Ni(1), and one Ni(2) atom to form OLi3MnNi2 octahedra that share  a cornercorner with one O(1)Li2MnNi3 octahedra,  a cornercorner with one O(2)Li2MnNi3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(4)Li3MnNi2 octahedra, edges with three equivalent O(1)Li2MnNi3 octahedra, edges with three equivalent O(2)Li2MnNi3 octahedra, edges with three equivalent O(3)Li4Mn2 octahedra, and edges with three equivalent O(5)Li4MnNi octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Mn(1), and one Ni(2) atom to form OLi4MnNi octahedra that share  a cornercorner with one O(2)Li2MnNi3 octahedra,  a cornercorner with one O(4)Li3MnNi2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(1)Li2MnNi3 octahedra,  an edgeedge with one O(5)Li4MnNi octahedra, edges with two equivalent O(1)Li2MnNi3 octahedra, edges with two equivalent O(2)Li2MnNi3 octahedra, edges with three equivalent O(4)Li3MnNi2 octahedra, and edges with four equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°.