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Title: Materials Data on ReS2 by Materials Project

Abstract

ReS2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two ReS2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Re–S bond distances ranging from 1.90–2.48 Å. In the second Re4+ site, Re4+ is bonded in a 2-coordinate geometry to six S2- atoms. There are a spread of Re–S bond distances ranging from 1.98–2.95 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Re4+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two Re4+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Re4+ atoms.

Publication Date:
Other Number(s):
mp-572758
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; ReS2; Re-S
OSTI Identifier:
1276430
DOI:
10.17188/1276430

Citation Formats

The Materials Project. Materials Data on ReS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276430.
The Materials Project. Materials Data on ReS2 by Materials Project. United States. doi:10.17188/1276430.
The Materials Project. 2020. "Materials Data on ReS2 by Materials Project". United States. doi:10.17188/1276430. https://www.osti.gov/servlets/purl/1276430. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1276430,
title = {Materials Data on ReS2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReS2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two ReS2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Re–S bond distances ranging from 1.90–2.48 Å. In the second Re4+ site, Re4+ is bonded in a 2-coordinate geometry to six S2- atoms. There are a spread of Re–S bond distances ranging from 1.98–2.95 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Re4+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two Re4+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Re4+ atoms.},
doi = {10.17188/1276430},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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