Materials Data on BaAs3 by Materials Project
BaAs3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine As+0.67- atoms. There are a spread of Ba–As bond distances ranging from 3.30–3.60 Å. There are two inequivalent As+0.67- sites. In the first As+0.67- site, As+0.67- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two As+0.67- atoms. There are one shorter (2.49 Å) and one longer (2.50 Å) As–As bond lengths. In the second As+0.67- site, As+0.67- is bonded in a distorted tetrahedral geometry to one Ba2+ and three As+0.67- atoms. The As–As bond length is 2.54 Å.
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