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Title: Materials Data on Rb2AgPS4 by Materials Project

Abstract

Rb2AgPS4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.54 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to one Ag1+ and eight S2- atoms. The Rb–Ag bond length is 3.63 Å. There are a spread of Rb–S bond distances ranging from 3.41–3.99 Å. Ag1+ is bonded in a 4-coordinate geometry to one Rb1+ and four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–2.91 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.09 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Rb1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing SRb4P square pyramids. In the second S2- site, S2- is bonded in a 2-coordinate geometry to four Rb1+, one Ag1+, and one P5+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry tomore » four Rb1+, one Ag1+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to three Rb1+, two equivalent Ag1+, and one P5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1105212
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; Rb2AgPS4; Ag-P-Rb-S
OSTI Identifier:
1654984
DOI:
https://doi.org/10.17188/1654984

Citation Formats

The Materials Project. Materials Data on Rb2AgPS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654984.
The Materials Project. Materials Data on Rb2AgPS4 by Materials Project. United States. doi:https://doi.org/10.17188/1654984
The Materials Project. 2020. "Materials Data on Rb2AgPS4 by Materials Project". United States. doi:https://doi.org/10.17188/1654984. https://www.osti.gov/servlets/purl/1654984. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1654984,
title = {Materials Data on Rb2AgPS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2AgPS4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.54 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to one Ag1+ and eight S2- atoms. The Rb–Ag bond length is 3.63 Å. There are a spread of Rb–S bond distances ranging from 3.41–3.99 Å. Ag1+ is bonded in a 4-coordinate geometry to one Rb1+ and four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–2.91 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.09 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Rb1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing SRb4P square pyramids. In the second S2- site, S2- is bonded in a 2-coordinate geometry to four Rb1+, one Ag1+, and one P5+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four Rb1+, one Ag1+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to three Rb1+, two equivalent Ag1+, and one P5+ atom.},
doi = {10.17188/1654984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}