Mg3Sn crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing MgSn4 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing MgSn4 cuboctahedra. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Sn(1) atoms. Sn(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of distorted corner, edge, and face-sharing SnMg10 cuboctahedra.
Mg3Sn crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing MgSn4 cuboctahedra. There are two shorter (3.18 Å) and two longer (3.19 Å) Mg(1)-Sn(1) bond lengths. In the second Mg site, Mg(2) is bonded to four equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing MgSn4 cuboctahedra. All Mg(2)-Sn(1) bond lengths are 3.21 Å. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Sn(1) atoms. Both Mg(3)-Sn(1) bond lengths are 3.16 Å. Sn(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of distorted corner, edge, and face-sharing SnMg10 cuboctahedra.