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Title: Materials Data on Rb2TaCuS2 by Materials Project

Abstract

Rb2TaCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2TaCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 3-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.44 Å. There are a spread of Rb–S bond distances ranging from 3.01–3.12 Å. Ta is bonded in a distorted linear geometry to four equivalent Cu and two equivalent S atoms. There are two shorter (2.82 Å) and two longer (3.36 Å) Ta–Cu bond lengths. Both Ta–S bond lengths are 2.31 Å. Cu is bonded in a 6-coordinate geometry to two equivalent Rb and four equivalent Ta atoms. S is bonded in a 4-coordinate geometry to three equivalent Rb and one Ta atom.

Publication Date:
Other Number(s):
mp-1210450
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; Rb2TaCuS2; Cu-Rb-S-Ta
OSTI Identifier:
1684241
DOI:
https://doi.org/10.17188/1684241

Citation Formats

The Materials Project. Materials Data on Rb2TaCuS2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684241.
The Materials Project. Materials Data on Rb2TaCuS2 by Materials Project. United States. doi:https://doi.org/10.17188/1684241
The Materials Project. 2019. "Materials Data on Rb2TaCuS2 by Materials Project". United States. doi:https://doi.org/10.17188/1684241. https://www.osti.gov/servlets/purl/1684241. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684241,
title = {Materials Data on Rb2TaCuS2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2TaCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2TaCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 3-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.44 Å. There are a spread of Rb–S bond distances ranging from 3.01–3.12 Å. Ta is bonded in a distorted linear geometry to four equivalent Cu and two equivalent S atoms. There are two shorter (2.82 Å) and two longer (3.36 Å) Ta–Cu bond lengths. Both Ta–S bond lengths are 2.31 Å. Cu is bonded in a 6-coordinate geometry to two equivalent Rb and four equivalent Ta atoms. S is bonded in a 4-coordinate geometry to three equivalent Rb and one Ta atom.},
doi = {10.17188/1684241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}