MgSb crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Sb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Sb(1), two equivalent Sb(3), and three equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Mg(3), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Mg(1), two equivalent Mg(2), and three equivalent Mg(3) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mg(3) atoms.
MgSb crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Sb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. The Mg(1)-Sb(2) bond length is 2.84 Å. Both Mg(1)-Sb(1) bond lengths are 3.02 Å. Both Mg(1)-Sb(3) bond lengths are 3.03 Å. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. The Mg(2)-Sb(3) bond length is 3.04 Å. Both Mg(2)-Sb(1) bond lengths are 3.12 Å. Both Mg(2)-Sb(2) bond lengths are 3.01 Å. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Sb(1), two equivalent Sb(3), and three equivalent Sb(2) atoms. The Mg(3)-Sb(1) bond length is 3.39 Å. Both Mg(3)-Sb(3) bond lengths are 3.22 Å. There are two shorter (3.23 Å) and one longer (3.42 Å) Mg(3)-Sb(2) bond length. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Mg(3), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Mg(1), two equivalent Mg(2), and three equivalent Mg(3) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mg(3) atoms.