Mg2Sb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Sb(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to two equivalent Sb(1) and four equivalent Sb(2) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form distorted edge-sharing MgSb4 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms.
Mg2Sb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Sb(2) atoms. Both Mg(1)-Sb(2) bond lengths are 3.00 Å. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. All Mg(2)-Sb(1) bond lengths are 3.05 Å. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to two equivalent Sb(1) and four equivalent Sb(2) atoms. Both Mg(3)-Sb(1) bond lengths are 3.32 Å. All Mg(3)-Sb(2) bond lengths are 3.27 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form distorted edge-sharing MgSb4 cuboctahedra. Both Mg(4)-Sb(1) bond lengths are 3.16 Å. Both Mg(4)-Sb(2) bond lengths are 3.15 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms.