Materials Data on MgSb3 by Materials Project
MgSb3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mg2+ is bonded in a 10-coordinate geometry to ten Sb+0.67- atoms. There are six shorter (3.14 Å) and four longer (3.43 Å) Mg–Sb bond lengths. There are two inequivalent Sb+0.67- sites. In the first Sb+0.67- site, Sb+0.67- is bonded in a 6-coordinate geometry to four equivalent Mg2+ atoms. In the second Sb+0.67- site, Sb+0.67- is bonded in a 12-coordinate geometry to three equivalent Mg2+ atoms.