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Title: Materials Data on Rb2NbCuS2 by Materials Project

Abstract

Rb2NbCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2NbCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 4-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.38 Å. There are a spread of Rb–S bond distances ranging from 3.23–3.72 Å. Nb is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.45 Å) and two longer (2.75 Å) Nb–S bond lengths. Cu is bonded in a linear geometry to two equivalent Rb and two equivalent S atoms. Both Cu–S bond lengths are 2.14 Å. S is bonded in a 6-coordinate geometry to three equivalent Rb, two equivalent Nb, and one Cu atom.

Authors:
Publication Date:
Other Number(s):
mp-1210898
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; Rb2NbCuS2; Cu-Nb-Rb-S
OSTI Identifier:
1688026
DOI:
https://doi.org/10.17188/1688026

Citation Formats

The Materials Project. Materials Data on Rb2NbCuS2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688026.
The Materials Project. Materials Data on Rb2NbCuS2 by Materials Project. United States. doi:https://doi.org/10.17188/1688026
The Materials Project. 2019. "Materials Data on Rb2NbCuS2 by Materials Project". United States. doi:https://doi.org/10.17188/1688026. https://www.osti.gov/servlets/purl/1688026. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1688026,
title = {Materials Data on Rb2NbCuS2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2NbCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2NbCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 4-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.38 Å. There are a spread of Rb–S bond distances ranging from 3.23–3.72 Å. Nb is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.45 Å) and two longer (2.75 Å) Nb–S bond lengths. Cu is bonded in a linear geometry to two equivalent Rb and two equivalent S atoms. Both Cu–S bond lengths are 2.14 Å. S is bonded in a 6-coordinate geometry to three equivalent Rb, two equivalent Nb, and one Cu atom.},
doi = {10.17188/1688026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}