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Title: Materials Data on Rb3Au3Cl8 by Materials Project

Abstract

Rb3Au3Cl8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.31–4.02 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.36–3.72 Å. There are two inequivalent Au+1.67+ sites. In the first Au+1.67+ site, Au+1.67+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.35–3.30 Å. In the second Au+1.67+ site, Au+1.67+ is bonded in a distorted linear geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.31–3.27 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and two Au+1.67+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and two Au+1.67+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Rb1+ and onemore » Au+1.67+ atom. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Rb1+ and two Au+1.67+ atoms.« less

Publication Date:
Other Number(s):
mp-27301
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb3Au3Cl8; Au-Cl-Rb
OSTI Identifier:
1201512
DOI:
https://doi.org/10.17188/1201512

Citation Formats

The Materials Project. Materials Data on Rb3Au3Cl8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201512.
The Materials Project. Materials Data on Rb3Au3Cl8 by Materials Project. United States. doi:https://doi.org/10.17188/1201512
The Materials Project. 2020. "Materials Data on Rb3Au3Cl8 by Materials Project". United States. doi:https://doi.org/10.17188/1201512. https://www.osti.gov/servlets/purl/1201512. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1201512,
title = {Materials Data on Rb3Au3Cl8 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3Au3Cl8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.31–4.02 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.36–3.72 Å. There are two inequivalent Au+1.67+ sites. In the first Au+1.67+ site, Au+1.67+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.35–3.30 Å. In the second Au+1.67+ site, Au+1.67+ is bonded in a distorted linear geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.31–3.27 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and two Au+1.67+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and two Au+1.67+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Rb1+ and one Au+1.67+ atom. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Rb1+ and two Au+1.67+ atoms.},
doi = {10.17188/1201512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}