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Title: Materials Data on RbSiBiS4 by Materials Project

Abstract

RbBiSiS4 crystallizes in the monoclinic P2_1/c 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 3.41–3.67 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.17 Å. Bi3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Bi–S bond distances ranging from 2.74–3.33 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Si4+, and two equivalent Bi3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+, one Si4+, and two equivalent Bi3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Si4+, and one Bi3+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one Si4+, and two equivalent Bi3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-560051
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; RbSiBiS4; Bi-Rb-S-Si
OSTI Identifier:
1271239
DOI:
https://doi.org/10.17188/1271239

Citation Formats

The Materials Project. Materials Data on RbSiBiS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271239.
The Materials Project. Materials Data on RbSiBiS4 by Materials Project. United States. doi:https://doi.org/10.17188/1271239
The Materials Project. 2020. "Materials Data on RbSiBiS4 by Materials Project". United States. doi:https://doi.org/10.17188/1271239. https://www.osti.gov/servlets/purl/1271239. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1271239,
title = {Materials Data on RbSiBiS4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbBiSiS4 crystallizes in the monoclinic P2_1/c 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 3.41–3.67 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.17 Å. Bi3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Bi–S bond distances ranging from 2.74–3.33 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Si4+, and two equivalent Bi3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+, one Si4+, and two equivalent Bi3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Si4+, and one Bi3+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one Si4+, and two equivalent Bi3+ atoms.},
doi = {10.17188/1271239},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}