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Title: Materials Data on RbPSe3 by Materials Project

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.

Authors:
Publication Date:
Other Number(s):
mp-571464
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbPSe3; P-Rb-Se
OSTI Identifier:
1276272
DOI:
https://doi.org/10.17188/1276272

Citation Formats

The Materials Project. Materials Data on RbPSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276272.
The Materials Project. Materials Data on RbPSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1276272
The Materials Project. 2020. "Materials Data on RbPSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1276272. https://www.osti.gov/servlets/purl/1276272. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276272,
title = {Materials Data on RbPSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1276272},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}