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Title: Materials Data on Li6Eu5Sn9 by Materials Project

Abstract

Li6Eu5Sn9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded to two equivalent Eu and four Sn atoms to form distorted edge-sharing LiEu2Sn4 tetrahedra. Both Li–Eu bond lengths are 3.66 Å. There are a spread of Li–Sn bond distances ranging from 2.83–3.05 Å. In the second Li site, Li is bonded in a distorted trigonal non-coplanar geometry to three Eu and five Sn atoms. There are one shorter (3.31 Å) and two longer (3.52 Å) Li–Eu bond lengths. There are a spread of Li–Sn bond distances ranging from 2.77–3.35 Å. In the third Li site, Li is bonded in a distorted trigonal non-coplanar geometry to two Eu and three Sn atoms. There are one shorter (3.52 Å) and one longer (3.76 Å) Li–Eu bond lengths. There are two shorter (2.87 Å) and one longer (2.90 Å) Li–Sn bond lengths. There are four inequivalent Eu sites. In the first Eu site, Eu is bonded in a 8-coordinate geometry to two equivalent Li and eight Sn atoms. There are four shorter (3.47 Å) and four longer (3.59 Å) Eu–Sn bond lengths. In the second Eu site,more » Eu is bonded in a 10-coordinate geometry to four Li and ten Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.44–3.56 Å. In the third Eu site, Eu is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.41–3.66 Å. In the fourth Eu site, Eu is bonded in a 5-coordinate geometry to four Li and seven Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.35–3.54 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to one Li, six Eu, and two Sn atoms. There are one shorter (2.91 Å) and one longer (2.93 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 3-coordinate geometry to three Li, four Eu, and one Sn atom. The Sn–Sn bond length is 2.94 Å. In the third Sn site, Sn is bonded in a 10-coordinate geometry to five Li, three Eu, and two Sn atoms. The Sn–Sn bond length is 2.94 Å. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Li, three Eu, and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 1-coordinate geometry to one Li, six Eu, and two Sn atoms. The Sn–Sn bond length is 2.91 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1196198
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; Li6Eu5Sn9; Eu-Li-Sn
OSTI Identifier:
1688885
DOI:
https://doi.org/10.17188/1688885

Citation Formats

The Materials Project. Materials Data on Li6Eu5Sn9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688885.
The Materials Project. Materials Data on Li6Eu5Sn9 by Materials Project. United States. doi:https://doi.org/10.17188/1688885
The Materials Project. 2019. "Materials Data on Li6Eu5Sn9 by Materials Project". United States. doi:https://doi.org/10.17188/1688885. https://www.osti.gov/servlets/purl/1688885. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1688885,
title = {Materials Data on Li6Eu5Sn9 by Materials Project},
author = {The Materials Project},
abstractNote = {Li6Eu5Sn9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded to two equivalent Eu and four Sn atoms to form distorted edge-sharing LiEu2Sn4 tetrahedra. Both Li–Eu bond lengths are 3.66 Å. There are a spread of Li–Sn bond distances ranging from 2.83–3.05 Å. In the second Li site, Li is bonded in a distorted trigonal non-coplanar geometry to three Eu and five Sn atoms. There are one shorter (3.31 Å) and two longer (3.52 Å) Li–Eu bond lengths. There are a spread of Li–Sn bond distances ranging from 2.77–3.35 Å. In the third Li site, Li is bonded in a distorted trigonal non-coplanar geometry to two Eu and three Sn atoms. There are one shorter (3.52 Å) and one longer (3.76 Å) Li–Eu bond lengths. There are two shorter (2.87 Å) and one longer (2.90 Å) Li–Sn bond lengths. There are four inequivalent Eu sites. In the first Eu site, Eu is bonded in a 8-coordinate geometry to two equivalent Li and eight Sn atoms. There are four shorter (3.47 Å) and four longer (3.59 Å) Eu–Sn bond lengths. In the second Eu site, Eu is bonded in a 10-coordinate geometry to four Li and ten Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.44–3.56 Å. In the third Eu site, Eu is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.41–3.66 Å. In the fourth Eu site, Eu is bonded in a 5-coordinate geometry to four Li and seven Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.35–3.54 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to one Li, six Eu, and two Sn atoms. There are one shorter (2.91 Å) and one longer (2.93 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 3-coordinate geometry to three Li, four Eu, and one Sn atom. The Sn–Sn bond length is 2.94 Å. In the third Sn site, Sn is bonded in a 10-coordinate geometry to five Li, three Eu, and two Sn atoms. The Sn–Sn bond length is 2.94 Å. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Li, three Eu, and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 1-coordinate geometry to one Li, six Eu, and two Sn atoms. The Sn–Sn bond length is 2.91 Å.},
doi = {10.17188/1688885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}