MgSn crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Sn(1), two equivalent Sn(3), and four equivalent Sn(2) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(2), 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 to two equivalent Mg(1) and two equivalent Mg(2) atoms to form distorted corner-sharing SnMg4 tetrahedra. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms.
MgSn crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. Both Mg(1)-Sn(1) bond lengths are 3.10 Å. Both Mg(1)-Sn(2) bond lengths are 3.07 Å. Both Mg(1)-Sn(3) bond lengths are 3.11 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Sn(1), two equivalent Sn(3), and four equivalent Sn(2) atoms. Both Mg(2)-Mg(3) bond lengths are 3.24 Å. Both Mg(2)-Sn(1) bond lengths are 3.15 Å. Both Mg(2)-Sn(3) bond lengths are 3.15 Å. All Mg(2)-Sn(2) bond lengths are 3.35 Å. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(2), two equivalent Sn(2), and two equivalent Sn(3) atoms. Both Mg(3)-Sn(2) bond lengths are 3.09 Å. Both Mg(3)-Sn(3) bond lengths are 3.10 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Mg(1) and two equivalent Mg(2) atoms to form distorted corner-sharing SnMg4 tetrahedra. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms.