Li7Mn3(SiO6)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m 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(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Si(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Si(1)O6 octahedra, and edges with six equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the second Li site, Li(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Si(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Si(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. Si(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form SiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Si(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Si2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(2)Li4Si2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Si2 octahedra, edges with two equivalent O(2)Li4Si2 octahedra, and edges with eight equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second O site, O(2) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Si(1) atoms to form distorted OLi4Si2 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Si2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(2)Li4Si2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with four equivalent O(4)Li4Si2 octahedra, and edges with five equivalent O(2)Li4Si2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Si2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(2)Li4Si2 octahedra,  an edgeedge with one O(4)Li4Si2 octahedra, edges with two equivalent O(2)Li4Si2 octahedra, edges with four equivalent O(1)Li3Mn3 octahedra, and edges with five equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Si(1) atoms to form OLi4Si2 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Si2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(2)Li4Si2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Si2 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, and edges with eight equivalent O(2)Li4Si2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°.
Li7Mn3(SiO6)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m 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(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Si(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Si(1)O6 octahedra, and edges with six equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-O(4) bond length is 2.07 Å. Both Li(1)-O(2) bond lengths are 2.15 Å. Both Li(1)-O(3) bond lengths are 2.16 Å. In the second Li site, Li(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. Both Li(2)-O(4) bond lengths are 2.19 Å. All Li(2)-O(2) bond lengths are 2.08 Å. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Si(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Si(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. The Li(3)-O(1) bond length is 2.08 Å. The Li(3)-O(4) bond length is 2.17 Å. There is one shorter (2.00 Å) and one longer (2.38 Å) Li(3)-O(2) bond length. There is one shorter (2.09 Å) and one longer (2.14 Å) Li(3)-O(3) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Both Mn(1)-O(1) bond lengths are 2.25 Å. All Mn(1)-O(3) bond lengths are 1.94 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. Both Mn(2)-O(1) bond lengths are 1.96 Å. There are two shorter (1.94 Å) and two longer (2.23 Å) Mn(2)-O(3) bond lengths. Si(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form SiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Si(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. Both Si(1)-O(4) bond lengths are 1.84 Å. There are two shorter (1.84 Å) and two longer (1.89 Å) Si(1)-O(2) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Si2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(2)Li4Si2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Si2 octahedra, edges with two equivalent O(2)Li4Si2 octahedra, and edges with eight equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second O site, O(2) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Si(1) atoms to form distorted OLi4Si2 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Si2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(2)Li4Si2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with four equivalent O(4)Li4Si2 octahedra, and edges with five equivalent O(2)Li4Si2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Si2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(2)Li4Si2 octahedra,  an edgeedge with one O(4)Li4Si2 octahedra, edges with two equivalent O(2)Li4Si2 octahedra, edges with four equivalent O(1)Li3Mn3 octahedra, and edges with five equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Si(1) atoms to form OLi4Si2 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Si2 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(2)Li4Si2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Si2 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, and edges with eight equivalent O(2)Li4Si2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°.