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Title: Materials Data on Li2Ga7 by Materials Project

Abstract

Li2Ga7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.86–3.04 Å. In the second Li site, Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.83–3.01 Å. In the third Li site, Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.87–3.05 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.82 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 2.53–2.76 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are one shorter (2.58 Å) and three longer (2.66more » Å) Ga–Ga bond lengths. In the fourth 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 2.57–2.70 Å. In the fifth Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.52–2.70 Å. In the sixth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. The Ga–Ga bond length is 2.49 Å. In the seventh Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are one shorter (2.71 Å) and one longer (2.73 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. In the ninth Ga site, Ga is bonded in a distorted hexagonal pyramidal geometry to three Li and four Ga atoms. The Ga–Ga bond length is 2.65 Å. In the tenth Ga site, Ga is bonded in a 5-coordinate geometry to one Li and four Ga atoms.« less

Publication Date:
Other Number(s):
mp-1222769
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; Li2Ga7; Ga-Li
OSTI Identifier:
1694820
DOI:
https://doi.org/10.17188/1694820

Citation Formats

The Materials Project. Materials Data on Li2Ga7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694820.
The Materials Project. Materials Data on Li2Ga7 by Materials Project. United States. doi:https://doi.org/10.17188/1694820
The Materials Project. 2020. "Materials Data on Li2Ga7 by Materials Project". United States. doi:https://doi.org/10.17188/1694820. https://www.osti.gov/servlets/purl/1694820. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694820,
title = {Materials Data on Li2Ga7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Ga7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.86–3.04 Å. In the second Li site, Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.83–3.01 Å. In the third Li site, Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.87–3.05 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.82 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 2.53–2.76 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are one shorter (2.58 Å) and three longer (2.66 Å) Ga–Ga bond lengths. In the fourth 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 2.57–2.70 Å. In the fifth Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.52–2.70 Å. In the sixth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. The Ga–Ga bond length is 2.49 Å. In the seventh Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are one shorter (2.71 Å) and one longer (2.73 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. In the ninth Ga site, Ga is bonded in a distorted hexagonal pyramidal geometry to three Li and four Ga atoms. The Ga–Ga bond length is 2.65 Å. In the tenth Ga site, Ga is bonded in a 5-coordinate geometry to one Li and four Ga atoms.},
doi = {10.17188/1694820},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}