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Title: Materials Data on Ba3(LiSn2)4 by Materials Project

Abstract

Ba3Li4Sn8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 5-coordinate geometry to two equivalent Ba and five Sn atoms. Both Li–Ba bond lengths are 3.71 Å. There are a spread of Li–Sn bond distances ranging from 2.91–2.99 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to four Sn atoms. There are two shorter (2.80 Å) and two longer (2.88 Å) Li–Sn bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 1-coordinate geometry to two equivalent Li and ten Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.58–3.88 Å. In the second Ba site, Ba is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.63–3.77 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Li and four Ba atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Li and four Ba atoms. In themore » third Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Li and three Ba atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-30254
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; Ba3(LiSn2)4; Ba-Li-Sn
OSTI Identifier:
1204663
DOI:
https://doi.org/10.17188/1204663

Citation Formats

The Materials Project. Materials Data on Ba3(LiSn2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204663.
The Materials Project. Materials Data on Ba3(LiSn2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1204663
The Materials Project. 2020. "Materials Data on Ba3(LiSn2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1204663. https://www.osti.gov/servlets/purl/1204663. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204663,
title = {Materials Data on Ba3(LiSn2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3Li4Sn8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 5-coordinate geometry to two equivalent Ba and five Sn atoms. Both Li–Ba bond lengths are 3.71 Å. There are a spread of Li–Sn bond distances ranging from 2.91–2.99 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to four Sn atoms. There are two shorter (2.80 Å) and two longer (2.88 Å) Li–Sn bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 1-coordinate geometry to two equivalent Li and ten Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.58–3.88 Å. In the second Ba site, Ba is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.63–3.77 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Li and four Ba atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Li and four Ba atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Li and three Ba atoms.},
doi = {10.17188/1204663},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}