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Title: Materials Data on RbPPbS4 by Materials Project

Abstract

RbPbPS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.43–3.95 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.95–3.51 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Rb1+, one Pb2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Rb1+, three equivalent Pb2+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Pb2+, and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1193252
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; RbPPbS4; P-Pb-Rb-S
OSTI Identifier:
1680358
DOI:
https://doi.org/10.17188/1680358

Citation Formats

The Materials Project. Materials Data on RbPPbS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680358.
The Materials Project. Materials Data on RbPPbS4 by Materials Project. United States. doi:https://doi.org/10.17188/1680358
The Materials Project. 2020. "Materials Data on RbPPbS4 by Materials Project". United States. doi:https://doi.org/10.17188/1680358. https://www.osti.gov/servlets/purl/1680358. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680358,
title = {Materials Data on RbPPbS4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbPbPS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.43–3.95 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.95–3.51 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Rb1+, one Pb2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Rb1+, three equivalent Pb2+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Pb2+, and one P5+ atom.},
doi = {10.17188/1680358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}