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Title: Materials Data on LiErSn2 by Materials Project

Abstract

LiErSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Er and five Sn atoms. All Li–Er bond lengths are 3.37 Å. There are a spread of Li–Sn bond distances ranging from 2.45–2.69 Å. Er is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.36–3.62 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Er atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Er atoms to form a mixture of distorted face and edge-sharing SnLi4Er4 tetrahedra.

Publication Date:
Other Number(s):
mp-1080658
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; LiErSn2; Er-Li-Sn
OSTI Identifier:
1724917
DOI:
https://doi.org/10.17188/1724917

Citation Formats

The Materials Project. Materials Data on LiErSn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724917.
The Materials Project. Materials Data on LiErSn2 by Materials Project. United States. doi:https://doi.org/10.17188/1724917
The Materials Project. 2020. "Materials Data on LiErSn2 by Materials Project". United States. doi:https://doi.org/10.17188/1724917. https://www.osti.gov/servlets/purl/1724917. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1724917,
title = {Materials Data on LiErSn2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiErSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Er and five Sn atoms. All Li–Er bond lengths are 3.37 Å. There are a spread of Li–Sn bond distances ranging from 2.45–2.69 Å. Er is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.36–3.62 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Er atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Er atoms to form a mixture of distorted face and edge-sharing SnLi4Er4 tetrahedra.},
doi = {10.17188/1724917},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}