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Title: Materials Data on Li2CuSn2 by Materials Project

Abstract

Li2CuSn2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 2-coordinate geometry to two equivalent Li, two equivalent Cu, and seven equivalent Sn atoms. Both Li–Li bond lengths are 2.92 Å. Both Li–Cu bond lengths are 2.66 Å. There are a spread of Li–Sn bond distances ranging from 2.92–3.13 Å. In the second Li site, Li is bonded in a 2-coordinate geometry to two equivalent Li, two equivalent Cu, and seven Sn atoms. Both Li–Cu bond lengths are 2.66 Å. There are a spread of Li–Sn bond distances ranging from 2.92–3.13 Å. In the third Li site, Li is bonded in a 2-coordinate geometry to two equivalent Li, two equivalent Cu, and seven Sn atoms. Both Li–Li bond lengths are 2.92 Å. Both Li–Cu bond lengths are 2.66 Å. There are a spread of Li–Sn bond distances ranging from 2.92–3.13 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.63 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in amore » 11-coordinate geometry to seven Li, two equivalent Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the second Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Cu, and two equivalent Sn atoms. There are two shorter (2.96 Å) and four longer (3.13 Å) Sn–Li bond lengths. Both Sn–Cu bond lengths are 2.63 Å. Both Sn–Sn bond lengths are 2.99 Å. In the third Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Cu, and two equivalent Sn atoms. There are one shorter (2.92 Å) and two longer (2.96 Å) Sn–Li bond lengths. Both Sn–Cu bond lengths are 2.63 Å. Both Sn–Sn bond lengths are 2.99 Å. In the fourth Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Cu, and two equivalent Sn atoms. There are two shorter (2.96 Å) and four longer (3.13 Å) Sn–Li bond lengths. Both Sn–Cu bond lengths are 2.63 Å. Both Sn–Sn bond lengths are 2.99 Å.« less

Publication Date:
Other Number(s):
mp-1078460
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; Li2CuSn2; Cu-Li-Sn
OSTI Identifier:
1677289
DOI:
https://doi.org/10.17188/1677289

Citation Formats

The Materials Project. Materials Data on Li2CuSn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677289.
The Materials Project. Materials Data on Li2CuSn2 by Materials Project. United States. doi:https://doi.org/10.17188/1677289
The Materials Project. 2020. "Materials Data on Li2CuSn2 by Materials Project". United States. doi:https://doi.org/10.17188/1677289. https://www.osti.gov/servlets/purl/1677289. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677289,
title = {Materials Data on Li2CuSn2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CuSn2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 2-coordinate geometry to two equivalent Li, two equivalent Cu, and seven equivalent Sn atoms. Both Li–Li bond lengths are 2.92 Å. Both Li–Cu bond lengths are 2.66 Å. There are a spread of Li–Sn bond distances ranging from 2.92–3.13 Å. In the second Li site, Li is bonded in a 2-coordinate geometry to two equivalent Li, two equivalent Cu, and seven Sn atoms. Both Li–Cu bond lengths are 2.66 Å. There are a spread of Li–Sn bond distances ranging from 2.92–3.13 Å. In the third Li site, Li is bonded in a 2-coordinate geometry to two equivalent Li, two equivalent Cu, and seven Sn atoms. Both Li–Li bond lengths are 2.92 Å. Both Li–Cu bond lengths are 2.66 Å. There are a spread of Li–Sn bond distances ranging from 2.92–3.13 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.63 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the second Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Cu, and two equivalent Sn atoms. There are two shorter (2.96 Å) and four longer (3.13 Å) Sn–Li bond lengths. Both Sn–Cu bond lengths are 2.63 Å. Both Sn–Sn bond lengths are 2.99 Å. In the third Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Cu, and two equivalent Sn atoms. There are one shorter (2.92 Å) and two longer (2.96 Å) Sn–Li bond lengths. Both Sn–Cu bond lengths are 2.63 Å. Both Sn–Sn bond lengths are 2.99 Å. In the fourth Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Cu, and two equivalent Sn atoms. There are two shorter (2.96 Å) and four longer (3.13 Å) Sn–Li bond lengths. Both Sn–Cu bond lengths are 2.63 Å. Both Sn–Sn bond lengths are 2.99 Å.},
doi = {10.17188/1677289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}