Li3Mn4SnO8 is alpha Po-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 two equivalent O(1) and four O(3,3) atoms to form LiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the second Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Mn site, Mn(2) is bonded to two equivalent O(2) and four O(3,3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Sn(1)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the fourth Mn site, Mn(3) is bonded to two equivalent O(2) and four O(3,3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Sn(1)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. Sn(1) is bonded to two equivalent O(1) and four O(3,3) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1); two Li(2,2); two Mn(1,1); and one Sn(1) atom to form OLi3Mn2Sn octahedra that share corners with six equivalent O(1)Li3Mn2Sn octahedra; edges with four equivalent O(2)Li2Mn4 octahedra; and edges with eight O(3,3)Li2Mn3Sn octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two Li(2,2); one Mn(2); one Mn(3); and two Mn(1,1) atoms to form OLi2Mn4 octahedra that share corners with six equivalent O(2)Li2Mn4 octahedra; edges with four equivalent O(1)Li3Mn2Sn octahedra; and edges with eight O(3,3)Li2Mn3Sn octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Sn(1) atom to form OLi2Mn3Sn octahedra that share corners with six equivalent O(3)Li2Mn3Sn octahedra, edges with four equivalent O(3)Li2Mn3Sn octahedra, edges with four equivalent O(2)Li2Mn4 octahedra, and edges with four equivalent O(1)Li3Mn2Sn octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Sn(1) atom to form OLi2Mn3Sn octahedra that share corners with six equivalent O(3)Li2Mn3Sn octahedra, edges with four equivalent O(3)Li2Mn3Sn octahedra, edges with four equivalent O(2)Li2Mn4 octahedra, and edges with four equivalent O(1)Li3Mn2Sn octahedra. The corner-sharing octahedra are not tilted.
Li3Mn4SnO8 is alpha Po-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 two equivalent O(1) and four O(3,3) atoms to form LiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Both Li(1)-O(1) bond lengths are 2.23 Å. All Li(1)-O(3,3) bond lengths are 2.31 Å. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Both Li(2)-O(1) bond lengths are 2.27 Å. Both Li(2)-O(2) bond lengths are 2.28 Å. Both Li(2)-O(3) bond lengths are 2.10 Å. In the third Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. Both Li(2)-O(1) bond lengths are 2.27 Å. Both Li(2)-O(2) bond lengths are 2.29 Å. Both Li(2)-O(3) bond lengths are 2.10 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. Both Mn(1)-O(1) bond lengths are 2.17 Å. Both Mn(1)-O(2) bond lengths are 2.15 Å. Both Mn(1)-O(3) bond lengths are 2.23 Å. In the second Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Both Mn(1)-O(1) bond lengths are 2.17 Å. Both Mn(1)-O(2) bond lengths are 2.15 Å. Both Mn(1)-O(3) bond lengths are 2.22 Å. In the third Mn site, Mn(2) is bonded to two equivalent O(2) and four O(3,3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Sn(1)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. Both Mn(2)-O(2) bond lengths are 2.16 Å. All Mn(2)-O(3,3) bond lengths are 2.22 Å. In the fourth Mn site, Mn(3) is bonded to two equivalent O(2) and four O(3,3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Sn(1)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. Both Mn(3)-O(2) bond lengths are 2.17 Å. All Mn(3)-O(3,3) bond lengths are 2.22 Å. Sn(1) is bonded to two equivalent O(1) and four O(3,3) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Both Sn(1)-O(1) bond lengths are 2.09 Å. All Sn(1)-O(3,3) bond lengths are 2.13 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1); two Li(2,2); two Mn(1,1); and one Sn(1) atom to form OLi3Mn2Sn octahedra that share corners with six equivalent O(1)Li3Mn2Sn octahedra; edges with four equivalent O(2)Li2Mn4 octahedra; and edges with eight O(3,3)Li2Mn3Sn octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two Li(2,2); one Mn(2); one Mn(3); and two Mn(1,1) atoms to form OLi2Mn4 octahedra that share corners with six equivalent O(2)Li2Mn4 octahedra; edges with four equivalent O(1)Li3Mn2Sn octahedra; and edges with eight O(3,3)Li2Mn3Sn octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Sn(1) atom to form OLi2Mn3Sn octahedra that share corners with six equivalent O(3)Li2Mn3Sn octahedra, edges with four equivalent O(3)Li2Mn3Sn octahedra, edges with four equivalent O(2)Li2Mn4 octahedra, and edges with four equivalent O(1)Li3Mn2Sn octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Sn(1) atom to form OLi2Mn3Sn octahedra that share corners with six equivalent O(3)Li2Mn3Sn octahedra, edges with four equivalent O(3)Li2Mn3Sn octahedra, edges with four equivalent O(2)Li2Mn4 octahedra, and edges with four equivalent O(1)Li3Mn2Sn octahedra. The corner-sharing octahedra are not tilted.