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Title: Materials Data on Li3Ga14 by Materials Project

Abstract

Li3Ga14 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Li is bonded in a 7-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.65–3.22 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.51–2.68 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–2.68 Å. In the third Ga site, Ga is bonded in a tetrahedral geometry to four Ga atoms. There are three shorter (2.52 Å) and one longer (2.60 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Li and four Ga atoms. All Ga–Ga bond lengths are 2.54 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Li and six Ga atoms. Both Ga–Ga bond lengths are 2.74 Å. In the sixth Ga site, Ga is bonded in a 1-coordinatemore » geometry to two equivalent Li and six Ga atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1222489
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; Li3Ga14; Ga-Li
OSTI Identifier:
1687009
DOI:
https://doi.org/10.17188/1687009

Citation Formats

The Materials Project. Materials Data on Li3Ga14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687009.
The Materials Project. Materials Data on Li3Ga14 by Materials Project. United States. doi:https://doi.org/10.17188/1687009
The Materials Project. 2020. "Materials Data on Li3Ga14 by Materials Project". United States. doi:https://doi.org/10.17188/1687009. https://www.osti.gov/servlets/purl/1687009. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687009,
title = {Materials Data on Li3Ga14 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Ga14 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Li is bonded in a 7-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.65–3.22 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.51–2.68 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–2.68 Å. In the third Ga site, Ga is bonded in a tetrahedral geometry to four Ga atoms. There are three shorter (2.52 Å) and one longer (2.60 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Li and four Ga atoms. All Ga–Ga bond lengths are 2.54 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Li and six Ga atoms. Both Ga–Ga bond lengths are 2.74 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to two equivalent Li and six Ga atoms.},
doi = {10.17188/1687009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}