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Title: Materials Data on Li5Yb4Sn5 by Materials Project

Abstract

Li5Yb4Sn5 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded in a distorted body-centered cubic geometry to four Yb and four Sn atoms. There are one shorter (2.94 Å) and three longer (2.95 Å) Li–Yb bond lengths. There are one shorter (2.79 Å) and three longer (2.96 Å) Li–Sn bond lengths. In the second Li site, Li is bonded in a body-centered cubic geometry to four Yb and four Sn atoms. There are one shorter (2.72 Å) and three longer (2.92 Å) Li–Yb bond lengths. There are one shorter (2.80 Å) and three longer (3.03 Å) Li–Sn bond lengths. In the third Li site, Li is bonded in a 4-coordinate geometry to four Yb and seven Sn atoms. There are three shorter (3.21 Å) and one longer (3.24 Å) Li–Yb bond lengths. There are a spread of Li–Sn bond distances ranging from 2.85–3.35 Å. In the fourth Li site, Li is bonded in a trigonal planar geometry to three equivalent Li, three equivalent Yb, and three equivalent Sn atoms. All Li–Li bond lengths are 3.04 Å. All Li–Yb bond lengths are 3.47 Å. Allmore » Li–Sn bond lengths are 2.83 Å. In the fifth Li site, Li is bonded in a 11-coordinate geometry to three equivalent Li, four Yb, and four Sn atoms. There are one shorter (3.15 Å) and three longer (3.36 Å) Li–Yb bond lengths. There are three shorter (3.07 Å) and one longer (3.26 Å) Li–Sn bond lengths. There are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to seven Li and six Sn atoms. There are three shorter (3.32 Å) and three longer (3.42 Å) Yb–Sn bond lengths. In the second Yb site, Yb is bonded in a 10-coordinate geometry to four Li and six Sn atoms. There are three shorter (3.38 Å) and three longer (3.49 Å) Yb–Sn bond lengths. In the third Yb site, Yb is bonded in a 11-coordinate geometry to four Li and seven Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.26–3.39 Å. In the fourth Yb site, Yb is bonded in a 4-coordinate geometry to four Li and four Sn atoms. There are one shorter (3.03 Å) and three longer (3.17 Å) Yb–Sn bond lengths. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to four Li, four Yb, and three equivalent Sn atoms. All Sn–Sn bond lengths are 3.17 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Li and six Yb atoms. In the third Sn site, Sn is bonded in a distorted trigonal planar geometry to three equivalent Li, three equivalent Yb, and three equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to seven Li and four Yb atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six Yb atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1222996
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; Li5Yb4Sn5; Li-Sn-Yb
OSTI Identifier:
1751545
DOI:
https://doi.org/10.17188/1751545

Citation Formats

The Materials Project. Materials Data on Li5Yb4Sn5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751545.
The Materials Project. Materials Data on Li5Yb4Sn5 by Materials Project. United States. doi:https://doi.org/10.17188/1751545
The Materials Project. 2020. "Materials Data on Li5Yb4Sn5 by Materials Project". United States. doi:https://doi.org/10.17188/1751545. https://www.osti.gov/servlets/purl/1751545. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1751545,
title = {Materials Data on Li5Yb4Sn5 by Materials Project},
author = {The Materials Project},
abstractNote = {Li5Yb4Sn5 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded in a distorted body-centered cubic geometry to four Yb and four Sn atoms. There are one shorter (2.94 Å) and three longer (2.95 Å) Li–Yb bond lengths. There are one shorter (2.79 Å) and three longer (2.96 Å) Li–Sn bond lengths. In the second Li site, Li is bonded in a body-centered cubic geometry to four Yb and four Sn atoms. There are one shorter (2.72 Å) and three longer (2.92 Å) Li–Yb bond lengths. There are one shorter (2.80 Å) and three longer (3.03 Å) Li–Sn bond lengths. In the third Li site, Li is bonded in a 4-coordinate geometry to four Yb and seven Sn atoms. There are three shorter (3.21 Å) and one longer (3.24 Å) Li–Yb bond lengths. There are a spread of Li–Sn bond distances ranging from 2.85–3.35 Å. In the fourth Li site, Li is bonded in a trigonal planar geometry to three equivalent Li, three equivalent Yb, and three equivalent Sn atoms. All Li–Li bond lengths are 3.04 Å. All Li–Yb bond lengths are 3.47 Å. All Li–Sn bond lengths are 2.83 Å. In the fifth Li site, Li is bonded in a 11-coordinate geometry to three equivalent Li, four Yb, and four Sn atoms. There are one shorter (3.15 Å) and three longer (3.36 Å) Li–Yb bond lengths. There are three shorter (3.07 Å) and one longer (3.26 Å) Li–Sn bond lengths. There are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to seven Li and six Sn atoms. There are three shorter (3.32 Å) and three longer (3.42 Å) Yb–Sn bond lengths. In the second Yb site, Yb is bonded in a 10-coordinate geometry to four Li and six Sn atoms. There are three shorter (3.38 Å) and three longer (3.49 Å) Yb–Sn bond lengths. In the third Yb site, Yb is bonded in a 11-coordinate geometry to four Li and seven Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.26–3.39 Å. In the fourth Yb site, Yb is bonded in a 4-coordinate geometry to four Li and four Sn atoms. There are one shorter (3.03 Å) and three longer (3.17 Å) Yb–Sn bond lengths. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to four Li, four Yb, and three equivalent Sn atoms. All Sn–Sn bond lengths are 3.17 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Li and six Yb atoms. In the third Sn site, Sn is bonded in a distorted trigonal planar geometry to three equivalent Li, three equivalent Yb, and three equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to seven Li and four Yb atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six Yb atoms.},
doi = {10.17188/1751545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}