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DOE OSTI · 1190826

Materials Data on Cs2P3 by Materials Project

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Abstract

Cs2P3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight P+0.67- atoms. There are four shorter (3.78 Å) and four longer (3.86 Å) Cs–P bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten P+0.67- atoms. There are a spread of Cs–P bond distances ranging from 3.59–3.82 Å. There are two inequivalent P+0.67- sites. In the first P+0.67- site, P+0.67- is bonded in a 8-coordinate geometry to six Cs1+ and two P+0.67- atoms. Both P–P bond lengths are 2.17 Å. In the second P+0.67- site, P+0.67- is bonded in a 2-coordinate geometry to six Cs1+ and two equivalent P+0.67- atoms.

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36 MATERIALS SCIENCEcrystal structureCs-PCs2P3

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2020-07-15. Materials Data on Cs2P3 by Materials Project. https://doi.org/10.17188/1190826

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