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Title: Materials Data on Li5Sn2 by Materials Project

Abstract

Li5Sn2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Li5Sn2 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight Li and six equivalent Sn atoms. There are six shorter (2.88 Å) and two longer (2.90 Å) Li–Li bond lengths. All Li–Sn bond lengths are 3.29 Å. In the second Li site, Li is bonded in a distorted trigonal non-coplanar geometry to one Li and three equivalent Sn atoms. All Li–Sn bond lengths are 2.92 Å. In the third Li site, Li is bonded to three equivalent Li and four equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing LiLi3Sn4 tetrahedra. There are one shorter (2.77 Å) and three longer (2.87 Å) Li–Sn bond lengths. Sn is bonded in a 7-coordinate geometry to ten Li atoms.

Publication Date:
Other Number(s):
mp-30766
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; Li5Sn2; Li-Sn
OSTI Identifier:
1205126
DOI:
https://doi.org/10.17188/1205126

Citation Formats

The Materials Project. Materials Data on Li5Sn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205126.
The Materials Project. Materials Data on Li5Sn2 by Materials Project. United States. doi:https://doi.org/10.17188/1205126
The Materials Project. 2020. "Materials Data on Li5Sn2 by Materials Project". United States. doi:https://doi.org/10.17188/1205126. https://www.osti.gov/servlets/purl/1205126. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205126,
title = {Materials Data on Li5Sn2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li5Sn2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Li5Sn2 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight Li and six equivalent Sn atoms. There are six shorter (2.88 Å) and two longer (2.90 Å) Li–Li bond lengths. All Li–Sn bond lengths are 3.29 Å. In the second Li site, Li is bonded in a distorted trigonal non-coplanar geometry to one Li and three equivalent Sn atoms. All Li–Sn bond lengths are 2.92 Å. In the third Li site, Li is bonded to three equivalent Li and four equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing LiLi3Sn4 tetrahedra. There are one shorter (2.77 Å) and three longer (2.87 Å) Li–Sn bond lengths. Sn is bonded in a 7-coordinate geometry to ten Li atoms.},
doi = {10.17188/1205126},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}