Mg2Sb crystallizes in the trigonal R32 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Mg(2) and four equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded to six equivalent Mg(1) and six equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing MgMg6Sb6 cuboctahedra. Sb(1) is bonded in a 12-coordinate geometry to three equivalent Mg(2), six equivalent Mg(1), and three equivalent Sb(1) atoms.
Mg2Sb crystallizes in the trigonal R32 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Mg(2) and four equivalent Sb(1) atoms. Both Mg(1)-Mg(2) bond lengths are 3.24 Å. There are two shorter (3.08 Å) and two longer (3.45 Å) Mg(1)-Sb(1) bond lengths. In the second Mg site, Mg(2) is bonded to six equivalent Mg(1) and six equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing MgMg6Sb6 cuboctahedra. All Mg(2)-Sb(1) bond lengths are 3.26 Å. Sb(1) is bonded in a 12-coordinate geometry to three equivalent Mg(2), six equivalent Mg(1), and three equivalent Sb(1) atoms. All Sb(1)-Sb(1) bond lengths are 3.28 Å.