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Title: Materials Data on ErS2 by Materials Project

Abstract

ErS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are five shorter (2.81 Å) and four longer (2.88 Å) Er–S bond lengths. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing SEr5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.71 Å.

Publication Date:
Other Number(s):
mp-1018687
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; ErS2; Er-S
OSTI Identifier:
1350269
DOI:
10.17188/1350269

Citation Formats

The Materials Project. Materials Data on ErS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350269.
The Materials Project. Materials Data on ErS2 by Materials Project. United States. doi:10.17188/1350269.
The Materials Project. 2020. "Materials Data on ErS2 by Materials Project". United States. doi:10.17188/1350269. https://www.osti.gov/servlets/purl/1350269. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1350269,
title = {Materials Data on ErS2 by Materials Project},
author = {The Materials Project},
abstractNote = {ErS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are five shorter (2.81 Å) and four longer (2.88 Å) Er–S bond lengths. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing SEr5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.71 Å.},
doi = {10.17188/1350269},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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