Materials Data on BaBiBS4 by Materials Project

Kristin Persson
BaBBiS4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.27–3.50 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.81 Å) B–S bond length. Bi3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a...
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