Mg6MnSnO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Sn(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. 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 Sn(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Sn(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form SnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(3), one Mn(1), and one Sn(1) atom to form OMg4MnSn octahedra that share corners with six equivalent O(1)Mg4MnSn octahedra, edges with four equivalent O(3)Mg4Mn2 octahedra, edges with four equivalent O(4)Mg4Sn2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(3)Mg4Mn2 octahedra, edges with four equivalent O(1)Mg4MnSn octahedra, and edges with four equivalent O(4)Mg4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), and two equivalent Mn(1) atoms to form OMg4Mn2 octahedra that share corners with two equivalent O(4)Mg4Sn2 octahedra, corners with four equivalent O(3)Mg4Mn2 octahedra, edges with four equivalent O(3)Mg4Mn2 octahedra, edges with four equivalent O(1)Mg4MnSn octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Sn(1) atoms to form OMg4Sn2 octahedra that share corners with two equivalent O(3)Mg4Mn2 octahedra, corners with four equivalent O(4)Mg4Sn2 octahedra, edges with four equivalent O(1)Mg4MnSn octahedra, edges with four equivalent O(4)Mg4Sn2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted.
Mg6MnSnO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(1)-O(2) bond lengths are 2.21 Å. All Mg(1)-O(3) bond lengths are 2.24 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Sn(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(2)-O(2) bond lengths are 2.23 Å. All Mg(2)-O(4) bond lengths are 2.24 Å. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Mg(3)-O(3) bond length is 2.13 Å. The Mg(3)-O(4) bond length is 2.31 Å. Both Mg(3)-O(1) bond lengths are 2.24 Å. Both Mg(3)-O(2) bond lengths are 2.24 Å. 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 Sn(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mn(1)-O(1) bond lengths are 2.08 Å. All Mn(1)-O(3) bond lengths are 2.24 Å. Sn(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form SnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Sn(1)-O(1) bond lengths are 2.36 Å. All Sn(1)-O(4) bond lengths are 2.24 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(3), one Mn(1), and one Sn(1) atom to form OMg4MnSn octahedra that share corners with six equivalent O(1)Mg4MnSn octahedra, edges with four equivalent O(3)Mg4Mn2 octahedra, edges with four equivalent O(4)Mg4Sn2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(3)Mg4Mn2 octahedra, edges with four equivalent O(1)Mg4MnSn octahedra, and edges with four equivalent O(4)Mg4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), and two equivalent Mn(1) atoms to form OMg4Mn2 octahedra that share corners with two equivalent O(4)Mg4Sn2 octahedra, corners with four equivalent O(3)Mg4Mn2 octahedra, edges with four equivalent O(3)Mg4Mn2 octahedra, edges with four equivalent O(1)Mg4MnSn octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Sn(1) atoms to form OMg4Sn2 octahedra that share corners with two equivalent O(3)Mg4Mn2 octahedra, corners with four equivalent O(4)Mg4Sn2 octahedra, edges with four equivalent O(1)Mg4MnSn octahedra, edges with four equivalent O(4)Mg4Sn2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. The corner-sharing octahedra are not tilted.