Materials Data on BaSb3 by Materials Project
BaSb3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine Sb+0.67- atoms. There are a spread of Ba–Sb bond distances ranging from 3.53–3.84 Å. 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 Ba2+ and two Sb+0.67- atoms. There are one shorter (2.89 Å) and one longer (2.90 Å) Sb–Sb bond lengths. In the second Sb+0.67- site, Sb+0.67- is bonded in a 4-coordinate geometry to one Ba2+ and three Sb+0.67- atoms. The Sb–Sb bond length is 2.91 Å.
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