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DOE OSTI · 1276272

Materials Data on RbPSe3 by Materials Project

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Abstract

RbPSe3 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.52–4.07 Å. P5+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.15–2.40 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one P5+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one P5+ atom.

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36 MATERIALS SCIENCEcrystal structureP-Rb-SeRbPSe3

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2020-07-15. Materials Data on RbPSe3 by Materials Project. https://doi.org/10.17188/1276272

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