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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.

Authors:
Contributors:
Researcher:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1276430
Report Number(s):
mp-572758
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; ReS2; Re-S

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ReS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276430.
Persson, Kristin, & Project, Materials. Materials Data on ReS2 by Materials Project. United States. doi:10.17188/1276430.
Persson, Kristin, and Project, Materials. Fri . "Materials Data on ReS2 by Materials Project". United States. doi:10.17188/1276430. https://www.osti.gov/servlets/purl/1276430.
@article{osti_1276430,
title = {Materials Data on ReS2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
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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