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Title: Materials Data on Li(ErS2)3 by Materials Project

Abstract

ErLi(ErS2)2(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two erbium molecules; four hydrogen sulfide molecules; and one Li(ErS2)2 sheet oriented in the (0, 0, 1) direction. In the Li(ErS2)2 sheet, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S+1.67- atoms. All Li–S bond lengths are 2.46 Å. Er3+ is bonded in a linear geometry to two equivalent S+1.67- atoms. Both Er–S bond lengths are 2.56 Å. S+1.67- is bonded in a distorted linear geometry to one Li1+, one Er3+, and one S+1.67- atom. The S–S bond length is 2.19 Å.

Authors:
Publication Date:
Other Number(s):
mp-1206460
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; Li(ErS2)3; Er-Li-S
OSTI Identifier:
1695788
DOI:
https://doi.org/10.17188/1695788

Citation Formats

The Materials Project. Materials Data on Li(ErS2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1695788.
The Materials Project. Materials Data on Li(ErS2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1695788
The Materials Project. 2019. "Materials Data on Li(ErS2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1695788. https://www.osti.gov/servlets/purl/1695788. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695788,
title = {Materials Data on Li(ErS2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {ErLi(ErS2)2(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two erbium molecules; four hydrogen sulfide molecules; and one Li(ErS2)2 sheet oriented in the (0, 0, 1) direction. In the Li(ErS2)2 sheet, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S+1.67- atoms. All Li–S bond lengths are 2.46 Å. Er3+ is bonded in a linear geometry to two equivalent S+1.67- atoms. Both Er–S bond lengths are 2.56 Å. S+1.67- is bonded in a distorted linear geometry to one Li1+, one Er3+, and one S+1.67- atom. The S–S bond length is 2.19 Å.},
doi = {10.17188/1695788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}