Li5Mn3(SbO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) 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(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are two 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(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)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, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. Sb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SbO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Mn(1), two equivalent Mn(2), and one Sb(1) atom to form OLi2Mn3Sb octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(5)Li4MnSb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids,  an edgeedge with one O(1)Li2Mn3Sb octahedra, edges with two equivalent O(5)Li4MnSb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, and edges with three equivalent O(2)LiMn3Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Li(3), one Mn(1), two equivalent Mn(2), and one Sb(1) atom to form distorted OLiMn3Sb square pyramids that share  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Mn3Sb octahedra, corners with two equivalent O(4)Li3Mn2Sb octahedra, corners with two equivalent O(5)Li4MnSb octahedra,  a cornercorner with one O(2)LiMn3Sb square pyramid,  an edgeedge with one O(5)Li4MnSb octahedra,  an edgeedge with one O(3)Li4Sb2 octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with three equivalent O(1)Li2Mn3Sb octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 4-85°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Sb(1) atoms to form OLi4Sb2 octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra,  a cornercorner with one O(2)LiMn3Sb square pyramid, edges with two equivalent O(1)Li2Mn3Sb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, edges with four equivalent O(5)Li4MnSb octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(4)Li3Mn2Sb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids, edges with three equivalent O(1)Li2Mn3Sb octahedra, edges with three equivalent O(5)Li4MnSb octahedra, edges with three equivalent O(3)Li4Sb2 octahedra, and edges with two equivalent O(2)LiMn3Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Mn(2), and one Sb(1) atom to form OLi4MnSb octahedra that share  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Mn3Sb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids,  an edgeedge with one O(5)Li4MnSb octahedra, edges with two equivalent O(1)Li2Mn3Sb octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, edges with four equivalent O(3)Li4Sb2 octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 0-16°.
Li5Mn3(SbO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) 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(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. Both Li(1)-O(3) bond lengths are 2.16 Å. Both Li(1)-O(4) bond lengths are 2.28 Å. Both Li(1)-O(5) bond lengths are 2.29 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. The Li(2)-O(1) bond length is 2.36 Å. The Li(2)-O(4) bond length is 2.09 Å. There is one shorter (2.38 Å) and one longer (2.53 Å) Li(2)-O(3) bond length. There is one shorter (2.13 Å) and one longer (2.14 Å) Li(2)-O(5) bond length. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Li(3)-O(1) bond length is 2.19 Å. The Li(3)-O(2) bond length is 2.22 Å. The Li(3)-O(3) bond length is 2.17 Å. The Li(3)-O(4) bond length is 2.34 Å. The Li(3)-O(5) bond length is 2.10 Å. There are two 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(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. Both Mn(1)-O(1) bond lengths are 2.29 Å. Both Mn(1)-O(2) bond lengths are 2.19 Å. Both Mn(1)-O(4) bond lengths are 2.22 Å. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)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, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. The Mn(2)-O(4) bond length is 2.19 Å. The Mn(2)-O(5) bond length is 2.22 Å. There is one shorter (2.22 Å) and one longer (2.33 Å) Mn(2)-O(1) bond length. There is one shorter (2.18 Å) and one longer (2.27 Å) Mn(2)-O(2) bond length. Sb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SbO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. The Sb(1)-O(1) bond length is 2.08 Å. The Sb(1)-O(2) bond length is 2.09 Å. The Sb(1)-O(4) bond length is 2.10 Å. The Sb(1)-O(5) bond length is 2.05 Å. There is one shorter (2.09 Å) and one longer (2.11 Å) Sb(1)-O(3) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Mn(1), two equivalent Mn(2), and one Sb(1) atom to form OLi2Mn3Sb octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(5)Li4MnSb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids,  an edgeedge with one O(1)Li2Mn3Sb octahedra, edges with two equivalent O(5)Li4MnSb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, and edges with three equivalent O(2)LiMn3Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Li(3), one Mn(1), two equivalent Mn(2), and one Sb(1) atom to form distorted OLiMn3Sb square pyramids that share  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Mn3Sb octahedra, corners with two equivalent O(4)Li3Mn2Sb octahedra, corners with two equivalent O(5)Li4MnSb octahedra,  a cornercorner with one O(2)LiMn3Sb square pyramid,  an edgeedge with one O(5)Li4MnSb octahedra,  an edgeedge with one O(3)Li4Sb2 octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with three equivalent O(1)Li2Mn3Sb octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 4-85°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Sb(1) atoms to form OLi4Sb2 octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra,  a cornercorner with one O(2)LiMn3Sb square pyramid, edges with two equivalent O(1)Li2Mn3Sb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, edges with four equivalent O(5)Li4MnSb octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(4)Li3Mn2Sb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids, edges with three equivalent O(1)Li2Mn3Sb octahedra, edges with three equivalent O(5)Li4MnSb octahedra, edges with three equivalent O(3)Li4Sb2 octahedra, and edges with two equivalent O(2)LiMn3Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Mn(2), and one Sb(1) atom to form OLi4MnSb octahedra that share  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Mn3Sb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids,  an edgeedge with one O(5)Li4MnSb octahedra, edges with two equivalent O(1)Li2Mn3Sb octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, edges with four equivalent O(3)Li4Sb2 octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 0-16°.