Mg2Sb crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to five equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Mg(2) and five equivalent Mg(1) atoms.
Mg2Sb crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to five equivalent Sb(1) atoms. There are three shorter (3.05 Å) and two longer (3.28 Å) Mg(1)-Sb(1) bond lengths. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. There are two shorter (3.12 Å) and two longer (3.19 Å) Mg(2)-Sb(1) bond lengths. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Mg(2) and five equivalent Mg(1) atoms.