Materials Data on MgSb2 by Materials Project
MgSb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgSb2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a 5-coordinate geometry to five Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.02–3.08 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and three Sb1- atoms. There are one shorter (2.99 Å) and two longer (3.22 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a 6-coordinate geometry to two equivalent Mg2+ and one Sb1- atom.
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