Materials Data on CsBS2 by Materials Project
SBSCs crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to nine S2- atoms. There are a spread of Cs–S bond distances ranging from 3.50–3.97 Å. B3+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There is one shorter (1.74 Å) and two longer (1.87 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to four equivalent Cs1+ and two equivalent B3+ atoms.
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