skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on RbCu3S2 by Materials Project

Abstract

RbCu3S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.34–3.47 Å. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.29 Å) and two longer (2.37 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There are one shorter (2.24 Å) and one longer (2.31 Å) Cu–S bond lengths. In the third Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.34 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and four Cu1+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Rb1+ and four Cu1+ atoms.

Publication Date:
Other Number(s):
mp-10985
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; RbCu3S2; Cu-Rb-S
OSTI Identifier:
1187497
DOI:
https://doi.org/10.17188/1187497

Citation Formats

The Materials Project. Materials Data on RbCu3S2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187497.
The Materials Project. Materials Data on RbCu3S2 by Materials Project. United States. doi:https://doi.org/10.17188/1187497
The Materials Project. 2020. "Materials Data on RbCu3S2 by Materials Project". United States. doi:https://doi.org/10.17188/1187497. https://www.osti.gov/servlets/purl/1187497. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187497,
title = {Materials Data on RbCu3S2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCu3S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.34–3.47 Å. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.29 Å) and two longer (2.37 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There are one shorter (2.24 Å) and one longer (2.31 Å) Cu–S bond lengths. In the third Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.34 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and four Cu1+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Rb1+ and four Cu1+ atoms.},
doi = {10.17188/1187497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}