Li3Mn2SnO6 is Caswellsilverite-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(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. 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 Sn(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(1) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. There are two inequivalent Mn sites. In the first Mn site, 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 Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Sn site, Sn(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), one Mn(1), one Mn(2), and one Sn(1) atom to form OLi3Mn2Sn octahedra that share  a cornercorner with one O(1)Li3Mn2Sn octahedra,  a cornercorner with one O(6)Li3MnSn2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3Mn2Sn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3MnSn2 octahedra, edges with two equivalent O(6)Li3MnSn2 octahedra, and edges with three equivalent O(2)Li3Mn2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), one Mn(1), one Mn(2), and one Sn(2) atom to form OLi3Mn2Sn octahedra that share  a cornercorner with one O(2)Li3Mn2Sn octahedra,  a cornercorner with one O(5)Li3MnSn2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3Mn2Sn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3MnSn2 octahedra, edges with two equivalent O(6)Li3MnSn2 octahedra, and edges with three equivalent O(1)Li3Mn2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(2), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(5)Li3MnSn2 octahedra, corners with two equivalent O(1)Li3Mn2Sn octahedra, corners with two equivalent O(2)Li3Mn2Sn octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2Sn octahedra, edges with two equivalent O(2)Li3Mn2Sn octahedra, edges with two equivalent O(5)Li3MnSn2 octahedra, edges with two equivalent O(6)Li3MnSn2 octahedra, and edges with three equivalent O(4)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(6)Li3MnSn2 octahedra, corners with two equivalent O(1)Li3Mn2Sn octahedra, corners with two equivalent O(2)Li3Mn2Sn octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2Sn octahedra, edges with two equivalent O(2)Li3Mn2Sn octahedra, edges with two equivalent O(5)Li3MnSn2 octahedra, edges with two equivalent O(6)Li3MnSn2 octahedra, and edges with three equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), one Mn(1), one Sn(1), and one Sn(2) atom to form OLi3MnSn2 octahedra that share  a cornercorner with one O(2)Li3Mn2Sn octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra, corners with two equivalent O(5)Li3MnSn2 octahedra, corners with two equivalent O(6)Li3MnSn2 octahedra,  an edgeedge with one O(5)Li3MnSn2 octahedra, edges with two equivalent O(1)Li3Mn2Sn octahedra, edges with two equivalent O(2)Li3Mn2Sn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, and edges with three equivalent O(6)Li3MnSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(3), two equivalent Li(1), one Mn(2), one Sn(1), and one Sn(2) atom to form OLi3MnSn2 octahedra that share  a cornercorner with one O(1)Li3Mn2Sn octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra, corners with two equivalent O(5)Li3MnSn2 octahedra, corners with two equivalent O(6)Li3MnSn2 octahedra,  an edgeedge with one O(6)Li3MnSn2 octahedra, edges with two equivalent O(1)Li3Mn2Sn octahedra, edges with two equivalent O(2)Li3Mn2Sn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, and edges with three equivalent O(5)Li3MnSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°.
Li3Mn2SnO6 is Caswellsilverite-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(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. The Li(1)-O(3) bond length is 2.16 Å. The Li(1)-O(4) bond length is 2.15 Å. There is one shorter (2.25 Å) and one longer (2.27 Å) Li(1)-O(5) bond length. There is one shorter (2.27 Å) and one longer (2.28 Å) Li(1)-O(6) 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 Sn(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Li(2)-O(1) bond length is 2.14 Å. The Li(2)-O(3) bond length is 2.42 Å. The Li(2)-O(4) bond length is 2.40 Å. The Li(2)-O(5) bond length is 2.23 Å. There is one shorter (2.15 Å) and one longer (2.22 Å) Li(2)-O(2) bond length. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(1) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. The Li(3)-O(2) bond length is 2.52 Å. The Li(3)-O(3) bond length is 2.03 Å. The Li(3)-O(4) bond length is 2.00 Å. The Li(3)-O(6) bond length is 2.07 Å. There is one shorter (2.32 Å) and one longer (2.54 Å) Li(3)-O(1) bond length. There are two inequivalent Mn sites. In the first Mn site, 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 Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Mn(1)-O(1) bond length is 2.24 Å. The Mn(1)-O(2) bond length is 2.26 Å. The Mn(1)-O(4) bond length is 2.16 Å. The Mn(1)-O(5) bond length is 2.30 Å. There is one shorter (2.17 Å) and one longer (2.18 Å) Mn(1)-O(3) bond length. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. The Mn(2)-O(1) bond length is 2.04 Å. The Mn(2)-O(2) bond length is 2.04 Å. The Mn(2)-O(3) bond length is 1.96 Å. The Mn(2)-O(6) bond length is 2.37 Å. There is one shorter (1.97 Å) and one longer (2.22 Å) Mn(2)-O(4) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. Both Sn(1)-O(1) bond lengths are 2.10 Å. Both Sn(1)-O(5) bond lengths are 2.12 Å. Both Sn(1)-O(6) bond lengths are 2.10 Å. In the second Sn site, Sn(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. Both Sn(2)-O(2) bond lengths are 2.12 Å. Both Sn(2)-O(5) bond lengths are 2.12 Å. Both Sn(2)-O(6) bond lengths are 2.10 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), one Mn(1), one Mn(2), and one Sn(1) atom to form OLi3Mn2Sn octahedra that share  a cornercorner with one O(1)Li3Mn2Sn octahedra,  a cornercorner with one O(6)Li3MnSn2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3Mn2Sn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3MnSn2 octahedra, edges with two equivalent O(6)Li3MnSn2 octahedra, and edges with three equivalent O(2)Li3Mn2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), one Mn(1), one Mn(2), and one Sn(2) atom to form OLi3Mn2Sn octahedra that share  a cornercorner with one O(2)Li3Mn2Sn octahedra,  a cornercorner with one O(5)Li3MnSn2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3Mn2Sn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3MnSn2 octahedra, edges with two equivalent O(6)Li3MnSn2 octahedra, and edges with three equivalent O(1)Li3Mn2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(2), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(5)Li3MnSn2 octahedra, corners with two equivalent O(1)Li3Mn2Sn octahedra, corners with two equivalent O(2)Li3Mn2Sn octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2Sn octahedra, edges with two equivalent O(2)Li3Mn2Sn octahedra, edges with two equivalent O(5)Li3MnSn2 octahedra, edges with two equivalent O(6)Li3MnSn2 octahedra, and edges with three equivalent O(4)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(6)Li3MnSn2 octahedra, corners with two equivalent O(1)Li3Mn2Sn octahedra, corners with two equivalent O(2)Li3Mn2Sn octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2Sn octahedra, edges with two equivalent O(2)Li3Mn2Sn octahedra, edges with two equivalent O(5)Li3MnSn2 octahedra, edges with two equivalent O(6)Li3MnSn2 octahedra, and edges with three equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), one Mn(1), one Sn(1), and one Sn(2) atom to form OLi3MnSn2 octahedra that share  a cornercorner with one O(2)Li3Mn2Sn octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra, corners with two equivalent O(5)Li3MnSn2 octahedra, corners with two equivalent O(6)Li3MnSn2 octahedra,  an edgeedge with one O(5)Li3MnSn2 octahedra, edges with two equivalent O(1)Li3Mn2Sn octahedra, edges with two equivalent O(2)Li3Mn2Sn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, and edges with three equivalent O(6)Li3MnSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(3), two equivalent Li(1), one Mn(2), one Sn(1), and one Sn(2) atom to form OLi3MnSn2 octahedra that share  a cornercorner with one O(1)Li3Mn2Sn octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra, corners with two equivalent O(5)Li3MnSn2 octahedra, corners with two equivalent O(6)Li3MnSn2 octahedra,  an edgeedge with one O(6)Li3MnSn2 octahedra, edges with two equivalent O(1)Li3Mn2Sn octahedra, edges with two equivalent O(2)Li3Mn2Sn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, and edges with three equivalent O(5)Li3MnSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°.