Mg5Sn crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), three equivalent Mg(5), and two equivalent Sn(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(5), and two equivalent Sn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted single-bond geometry to two equivalent Mg(2), two equivalent Mg(5), and one Sn(1) atom. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(2) atoms.
Mg5Sn crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), three equivalent Mg(5), and two equivalent Sn(1) atoms. Both Mg(1)-Mg(2) bond lengths are 3.18 Å. There are two shorter (3.21 Å) and one longer (3.28 Å) Mg(1)-Mg(5) bond length. Both Mg(1)-Sn(1) bond lengths are 3.12 Å. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Sn(1) atoms. The Mg(2)-Mg(5) bond length is 3.01 Å. Both Mg(2)-Mg(2) bond lengths are 3.38 Å. Both Mg(2)-Mg(3) bond lengths are 3.11 Å. Both Mg(2)-Mg(4) bond lengths are 3.18 Å. There are two shorter (3.23 Å) and one longer (3.25 Å) Mg(2)-Sn(1) bond length. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(5), and two equivalent Sn(1) atoms. Both Mg(3)-Mg(5) bond lengths are 3.21 Å. Both Mg(3)-Sn(1) bond lengths are 3.16 Å. In the fourth Mg site, Mg(4) is bonded in a distorted single-bond geometry to two equivalent Mg(2), two equivalent Mg(5), and one Sn(1) atom. Both Mg(4)-Mg(5) bond lengths are 3.11 Å. The Mg(4)-Sn(1) bond length is 3.04 Å. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Sn(1) atoms. Both Mg(5)-Mg(5) bond lengths are 3.38 Å. Both Mg(5)-Sn(1) bond lengths are 3.22 Å. Sn(1) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(2) atoms.