Mg6MnCdO8 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(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mg(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. 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 Cd(1)O6 octahedra, corners with four equivalent Mg(2)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. 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 Cd(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 Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Cd(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Cd(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CdO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Cd(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. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one Mn(1) atom to form OMg5Mn octahedra that share corners with six equivalent O(1)Mg5Mn octahedra, edges with four equivalent O(3)Mg2Mn2Cd2 octahedra, edges with four equivalent O(2)Mg5Cd octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Cd(1) atom to form OMg5Cd octahedra that share corners with six equivalent O(2)Mg5Cd octahedra, edges with four equivalent O(3)Mg2Mn2Cd2 octahedra, edges with four equivalent O(1)Mg5Mn octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to two equivalent Mg(3), two equivalent Mn(1), and two equivalent Cd(1) atoms to form OMg2Mn2Cd2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Mg2Mn2Cd2 octahedra, edges with four equivalent O(3)Mg2Mn2Cd2 octahedra, edges with four equivalent O(2)Mg5Cd octahedra, and edges with four equivalent O(1)Mg5Mn octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Mg2Mn2Cd2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)Mg5Cd octahedra, edges with four equivalent O(1)Mg5Mn octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted.
Mg6MnCdO8 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(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mg(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 Mg(1)-O(1) bond lengths are 2.12 Å. All Mg(1)-O(4) bond lengths are 2.20 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 Cd(1)O6 octahedra, corners with four equivalent Mg(2)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 Mg(2)-O(2) bond lengths are 2.04 Å. All Mg(2)-O(4) bond lengths are 2.20 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 Cd(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 2.26 Å. The Mg(3)-O(4) bond length is 2.12 Å. Both Mg(3)-O(1) bond lengths are 2.20 Å. Both Mg(3)-O(2) bond lengths are 2.20 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 Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Cd(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 2.26 Å. All Mn(1)-O(3) bond lengths are 2.20 Å. Cd(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CdO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Cd(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 Cd(1)-O(2) bond lengths are 2.33 Å. All Cd(1)-O(3) bond lengths are 2.20 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one Mn(1) atom to form OMg5Mn octahedra that share corners with six equivalent O(1)Mg5Mn octahedra, edges with four equivalent O(3)Mg2Mn2Cd2 octahedra, edges with four equivalent O(2)Mg5Cd octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Cd(1) atom to form OMg5Cd octahedra that share corners with six equivalent O(2)Mg5Cd octahedra, edges with four equivalent O(3)Mg2Mn2Cd2 octahedra, edges with four equivalent O(1)Mg5Mn octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to two equivalent Mg(3), two equivalent Mn(1), and two equivalent Cd(1) atoms to form OMg2Mn2Cd2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Mg2Mn2Cd2 octahedra, edges with four equivalent O(3)Mg2Mn2Cd2 octahedra, edges with four equivalent O(2)Mg5Cd octahedra, and edges with four equivalent O(1)Mg5Mn octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Mg2Mn2Cd2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)Mg5Cd octahedra, edges with four equivalent O(1)Mg5Mn octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted.