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Title: Materials Data on Li3Tl by Materials Project

Abstract

Li3Tl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Tl atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Tl4 tetrahedra. All Li–Li bond lengths are 2.89 Å. All Li–Tl bond lengths are 2.89 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Tl atoms. All Li–Tl bond lengths are 3.34 Å. Tl is bonded in a body-centered cubic geometry to fourteen Li atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7396
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; Li3Tl; Li-Tl
OSTI Identifier:
1287919
DOI:
10.17188/1287919

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li3Tl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287919.
Persson, Kristin, & Project, Materials. Materials Data on Li3Tl by Materials Project. United States. doi:10.17188/1287919.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li3Tl by Materials Project". United States. doi:10.17188/1287919. https://www.osti.gov/servlets/purl/1287919. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287919,
title = {Materials Data on Li3Tl by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li3Tl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Tl atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Tl4 tetrahedra. All Li–Li bond lengths are 2.89 Å. All Li–Tl bond lengths are 2.89 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Tl atoms. All Li–Tl bond lengths are 3.34 Å. Tl is bonded in a body-centered cubic geometry to fourteen Li atoms.},
doi = {10.17188/1287919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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