MgSb crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Sb(2) and six equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing MgSb8 hexagonal bipyramids. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), and three equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded to two equivalent Mg(1) and four equivalent Mg(2) atoms to form distorted corner-sharing SbMg6 pentagonal pyramids.
MgSb crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Sb(2) and six equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing MgSb8 hexagonal bipyramids. Both Mg(1)-Sb(2) bond lengths are 2.91 Å. There are a spread of Mg(1)-Sb(1) bond distances ranging from 3.16-3.32 Å. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. Both Mg(2)-Sb(1) bond lengths are 2.99 Å. There is one shorter (2.98 Å) and one longer (3.08 Å) Mg(2)-Sb(2) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), and three equivalent Sb(1) atoms. There is one shorter (3.01 Å) and two longer (3.34 Å) Sb(1)-Sb(1) bond lengths. In the second Sb site, Sb(2) is bonded to two equivalent Mg(1) and four equivalent Mg(2) atoms to form distorted corner-sharing SbMg6 pentagonal pyramids.