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Title: Materials Data on Li3CeGa8 by Materials Project

Abstract

Li3CeGa8 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Li is bonded to two equivalent Li and twelve Ga atoms to form a mixture of distorted face, edge, and corner-sharing LiLi2Ga12 cuboctahedra. Both Li–Li bond lengths are 3.04 Å. There are eight shorter (3.01 Å) and four longer (3.05 Å) Li–Ga bond lengths. Ce is bonded in a 12-coordinate geometry to two equivalent Ce and twelve equivalent Ga atoms. Both Ce–Ce bond lengths are 3.04 Å. All Ce–Ga bond lengths are 3.14 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to six equivalent Li and five Ga atoms. There are three shorter (2.55 Å) and two longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Li, two equivalent Ce, and five Ga atoms. There are two shorter (2.74 Å) and two longer (3.04 Å) Ga–Ga bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1210979
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; Li3CeGa8; Ce-Ga-Li
OSTI Identifier:
1732607
DOI:
https://doi.org/10.17188/1732607

Citation Formats

The Materials Project. Materials Data on Li3CeGa8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732607.
The Materials Project. Materials Data on Li3CeGa8 by Materials Project. United States. doi:https://doi.org/10.17188/1732607
The Materials Project. 2019. "Materials Data on Li3CeGa8 by Materials Project". United States. doi:https://doi.org/10.17188/1732607. https://www.osti.gov/servlets/purl/1732607. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1732607,
title = {Materials Data on Li3CeGa8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3CeGa8 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Li is bonded to two equivalent Li and twelve Ga atoms to form a mixture of distorted face, edge, and corner-sharing LiLi2Ga12 cuboctahedra. Both Li–Li bond lengths are 3.04 Å. There are eight shorter (3.01 Å) and four longer (3.05 Å) Li–Ga bond lengths. Ce is bonded in a 12-coordinate geometry to two equivalent Ce and twelve equivalent Ga atoms. Both Ce–Ce bond lengths are 3.04 Å. All Ce–Ga bond lengths are 3.14 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to six equivalent Li and five Ga atoms. There are three shorter (2.55 Å) and two longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Li, two equivalent Ce, and five Ga atoms. There are two shorter (2.74 Å) and two longer (3.04 Å) Ga–Ga bond lengths.},
doi = {10.17188/1732607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}