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Title: Materials Data on Rb4Au6S5 by Materials Project

Abstract

Rb4Au6S5 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to four equivalent Au1+ and five S2- atoms. There are two shorter (3.62 Å) and two longer (3.72 Å) Rb–Au bond lengths. There are a spread of Rb–S bond distances ranging from 3.39–3.90 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.63 Å. Au1+ is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two S2- atoms. There are one shorter (2.34 Å) and one longer (2.36 Å) Au–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent Au1+ atoms. In the second S2- site, S2- is bonded to three equivalent Rb1+ and three equivalent Au1+ atoms to form face-sharing SRb3Au3 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-29090
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; Rb4Au6S5; Au-Rb-S
OSTI Identifier:
1203162
DOI:
https://doi.org/10.17188/1203162

Citation Formats

The Materials Project. Materials Data on Rb4Au6S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203162.
The Materials Project. Materials Data on Rb4Au6S5 by Materials Project. United States. doi:https://doi.org/10.17188/1203162
The Materials Project. 2020. "Materials Data on Rb4Au6S5 by Materials Project". United States. doi:https://doi.org/10.17188/1203162. https://www.osti.gov/servlets/purl/1203162. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1203162,
title = {Materials Data on Rb4Au6S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4Au6S5 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to four equivalent Au1+ and five S2- atoms. There are two shorter (3.62 Å) and two longer (3.72 Å) Rb–Au bond lengths. There are a spread of Rb–S bond distances ranging from 3.39–3.90 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.63 Å. Au1+ is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two S2- atoms. There are one shorter (2.34 Å) and one longer (2.36 Å) Au–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent Au1+ atoms. In the second S2- site, S2- is bonded to three equivalent Rb1+ and three equivalent Au1+ atoms to form face-sharing SRb3Au3 octahedra.},
doi = {10.17188/1203162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}