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Title: Materials Data on Er2S3 by Materials Project

Abstract

Er2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing ErS7 pentagonal bipyramids. There are a spread of Er–S bond distances ranging from 2.73–2.79 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.80–3.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Er3+ atoms to form a mixture of distorted edge and corner-sharing SEr5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Er3+ atoms to form a mixture of distorted edge and corner-sharing SEr5 square pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to five Er3+ atoms.

Publication Date:
Other Number(s):
mp-1106290
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; Er2S3; Er-S
OSTI Identifier:
1685617
DOI:
https://doi.org/10.17188/1685617

Citation Formats

The Materials Project. Materials Data on Er2S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685617.
The Materials Project. Materials Data on Er2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1685617
The Materials Project. 2020. "Materials Data on Er2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1685617. https://www.osti.gov/servlets/purl/1685617. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685617,
title = {Materials Data on Er2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing ErS7 pentagonal bipyramids. There are a spread of Er–S bond distances ranging from 2.73–2.79 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.80–3.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Er3+ atoms to form a mixture of distorted edge and corner-sharing SEr5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Er3+ atoms to form a mixture of distorted edge and corner-sharing SEr5 square pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to five Er3+ atoms.},
doi = {10.17188/1685617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}