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 10-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Sb(1), and three equivalent Sb(3) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-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 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Sb(2), and two equivalent Sb(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 10-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Sb(1), and three equivalent Sb(3) atoms. The Mg(1)-Mg(2) bond length is 3.07 Å. Both Mg(1)-Mg(1) bond lengths are 3.32 Å. Both Mg(1)-Mg(3) bond lengths are 3.21 Å. Both Mg(1)-Sb(1) bond lengths are 3.03 Å. There are two shorter (3.18 Å) and one longer (3.43 Å) Mg(1)-Sb(3) bond length. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. Both Mg(2)-Mg(2) bond lengths are 3.32 Å. There is one shorter (3.25 Å) and two longer (3.27 Å) Mg(2)-Mg(3) bond lengths. Both Mg(2)-Sb(1) bond lengths are 3.00 Å. Both Mg(2)-Sb(2) bond lengths are 3.33 Å. Both Mg(2)-Sb(3) bond lengths are 3.00 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. Both Mg(3)-Mg(3) bond lengths are 3.32 Å. The Mg(3)-Sb(1) bond length is 3.34 Å. Both Mg(3)-Sb(2) bond lengths are 3.08 Å. Both Mg(3)-Sb(3) bond lengths are 3.14 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-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 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), and one Sb(3) atom. The Sb(2)-Sb(3) bond length is 3.42 Å. In the third Sb site, Sb(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Sb(2), and two equivalent Sb(3) atoms. Both Sb(3)-Sb(3) bond lengths are 3.32 Å.