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Title: Materials Data on Li17(AgSn2)3 by Materials Project

Abstract

Li17(AgSn2)3 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are seven inequivalent Li sites. In the first Li site, Li is bonded in a 2-coordinate geometry to six Li, one Ag, and four Sn atoms. There are a spread of Li–Li bond distances ranging from 2.78–3.19 Å. The Li–Ag bond length is 2.87 Å. There are a spread of Li–Sn bond distances ranging from 2.85–3.15 Å. In the second Li site, Li is bonded in a 1-coordinate geometry to seven Li, two equivalent Ag, and four Sn atoms. There are a spread of Li–Li bond distances ranging from 2.78–3.09 Å. Both Li–Ag bond lengths are 3.02 Å. There are a spread of Li–Sn bond distances ranging from 2.82–3.09 Å. In the third Li site, Li is bonded in a 12-coordinate geometry to four Li, two equivalent Ag, and four Sn atoms. Both Li–Ag bond lengths are 2.91 Å. There are a spread of Li–Sn bond distances ranging from 2.94–3.02 Å. In the fourth Li site, Li is bonded in a 1-coordinate geometry to seven Li, one Ag, and three equivalent Sn atoms. There are three shorter (2.81 Å) and one longer (2.85 Å) Li–Li bond lengths.more » The Li–Ag bond length is 2.81 Å. All Li–Sn bond lengths are 3.04 Å. In the fifth Li site, Li is bonded in a 12-coordinate geometry to six Li, one Ag, and four Sn atoms. The Li–Ag bond length is 2.79 Å. There are a spread of Li–Sn bond distances ranging from 2.92–3.06 Å. In the sixth Li site, Li is bonded in a 4-coordinate geometry to four Li, one Ag, and three equivalent Sn atoms. The Li–Ag bond length is 2.89 Å. All Li–Sn bond lengths are 2.93 Å. In the seventh Li site, Li is bonded in a 4-coordinate geometry to three equivalent Li, one Ag, and three equivalent Sn atoms. The Li–Ag bond length is 3.08 Å. All Li–Sn bond lengths are 2.77 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to seven Li and three equivalent Sn atoms. All Ag–Sn bond lengths are 2.85 Å. In the second Ag site, Ag is bonded in a 11-coordinate geometry to eight Li and three equivalent Sn atoms. All Ag–Sn bond lengths are 2.77 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to twelve Li and one Ag atom. In the second Sn site, Sn is bonded in a 11-coordinate geometry to nine Li and two equivalent Ag atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-567528
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; Li17(AgSn2)3; Ag-Li-Sn
OSTI Identifier:
1273915
DOI:
https://doi.org/10.17188/1273915

Citation Formats

The Materials Project. Materials Data on Li17(AgSn2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1273915.
The Materials Project. Materials Data on Li17(AgSn2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1273915
The Materials Project. 2019. "Materials Data on Li17(AgSn2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1273915. https://www.osti.gov/servlets/purl/1273915. Pub date:Tue Jun 04 00:00:00 EDT 2019
@article{osti_1273915,
title = {Materials Data on Li17(AgSn2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li17(AgSn2)3 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are seven inequivalent Li sites. In the first Li site, Li is bonded in a 2-coordinate geometry to six Li, one Ag, and four Sn atoms. There are a spread of Li–Li bond distances ranging from 2.78–3.19 Å. The Li–Ag bond length is 2.87 Å. There are a spread of Li–Sn bond distances ranging from 2.85–3.15 Å. In the second Li site, Li is bonded in a 1-coordinate geometry to seven Li, two equivalent Ag, and four Sn atoms. There are a spread of Li–Li bond distances ranging from 2.78–3.09 Å. Both Li–Ag bond lengths are 3.02 Å. There are a spread of Li–Sn bond distances ranging from 2.82–3.09 Å. In the third Li site, Li is bonded in a 12-coordinate geometry to four Li, two equivalent Ag, and four Sn atoms. Both Li–Ag bond lengths are 2.91 Å. There are a spread of Li–Sn bond distances ranging from 2.94–3.02 Å. In the fourth Li site, Li is bonded in a 1-coordinate geometry to seven Li, one Ag, and three equivalent Sn atoms. There are three shorter (2.81 Å) and one longer (2.85 Å) Li–Li bond lengths. The Li–Ag bond length is 2.81 Å. All Li–Sn bond lengths are 3.04 Å. In the fifth Li site, Li is bonded in a 12-coordinate geometry to six Li, one Ag, and four Sn atoms. The Li–Ag bond length is 2.79 Å. There are a spread of Li–Sn bond distances ranging from 2.92–3.06 Å. In the sixth Li site, Li is bonded in a 4-coordinate geometry to four Li, one Ag, and three equivalent Sn atoms. The Li–Ag bond length is 2.89 Å. All Li–Sn bond lengths are 2.93 Å. In the seventh Li site, Li is bonded in a 4-coordinate geometry to three equivalent Li, one Ag, and three equivalent Sn atoms. The Li–Ag bond length is 3.08 Å. All Li–Sn bond lengths are 2.77 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to seven Li and three equivalent Sn atoms. All Ag–Sn bond lengths are 2.85 Å. In the second Ag site, Ag is bonded in a 11-coordinate geometry to eight Li and three equivalent Sn atoms. All Ag–Sn bond lengths are 2.77 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to twelve Li and one Ag atom. In the second Sn site, Sn is bonded in a 11-coordinate geometry to nine Li and two equivalent Ag atoms.},
doi = {10.17188/1273915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}