MgMn6Sn6 crystallizes in the hexagonal P6/mmm space group. Mg(1) is bonded to two equivalent Sn(1) and six equivalent Sn(2) atoms to form edge-sharing MgSn8 hexagonal bipyramids. Mn(1) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Mg(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms.
MgMn6Sn6 crystallizes in the hexagonal P6/mmm space group. Mg(1) is bonded to two equivalent Sn(1) and six equivalent Sn(2) atoms to form edge-sharing MgSn8 hexagonal bipyramids. Both Mg(1)-Sn(1) bond lengths are 2.93 Å. All Mg(1)-Sn(2) bond lengths are 3.14 Å. Mn(1) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. Both Mn(1)-Sn(1) bond lengths are 2.81 Å. Both Mn(1)-Sn(2) bond lengths are 2.74 Å. Both Mn(1)-Sn(3) bond lengths are 2.75 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Mg(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms.