Materials Data on Cs3BP2 by Materials Project
Cs3BP2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are two shorter (3.77 Å) and two longer (3.80 Å) Cs–P bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five equivalent P3- atoms. There are a spread of Cs–P bond distances ranging from 3.63–3.94 Å. B3+ is bonded in a linear geometry to two equivalent P3- atoms. Both B–P bond lengths are 1.78 Å. P3- is bonded in a distorted single-bond geometry to seven Cs1+ and one B3+ atom.
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