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Title: Materials Data on LiLa3 by Materials Project

Abstract

LiLa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent La atoms to form LiLa12 cuboctahedra that share corners with six equivalent LiLa12 cuboctahedra, corners with twelve equivalent LaLi4La8 cuboctahedra, edges with eighteen equivalent LaLi4La8 cuboctahedra, faces with eight equivalent LiLa12 cuboctahedra, and faces with twelve equivalent LaLi4La8 cuboctahedra. There are six shorter (3.39 Å) and six longer (3.69 Å) Li–La bond lengths. La is bonded to four equivalent Li and eight equivalent La atoms to form distorted LaLi4La8 cuboctahedra that share corners with four equivalent LiLa12 cuboctahedra, corners with fourteen equivalent LaLi4La8 cuboctahedra, edges with six equivalent LiLa12 cuboctahedra, edges with twelve equivalent LaLi4La8 cuboctahedra, faces with four equivalent LiLa12 cuboctahedra, and faces with sixteen equivalent LaLi4La8 cuboctahedra. There are a spread of La–La bond distances ranging from 3.50–3.87 Å.

Authors:
Publication Date:
Other Number(s):
mp-973415
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; LiLa3; La-Li
OSTI Identifier:
1314103
DOI:
https://doi.org/10.17188/1314103

Citation Formats

The Materials Project. Materials Data on LiLa3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314103.
The Materials Project. Materials Data on LiLa3 by Materials Project. United States. doi:https://doi.org/10.17188/1314103
The Materials Project. 2020. "Materials Data on LiLa3 by Materials Project". United States. doi:https://doi.org/10.17188/1314103. https://www.osti.gov/servlets/purl/1314103. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1314103,
title = {Materials Data on LiLa3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent La atoms to form LiLa12 cuboctahedra that share corners with six equivalent LiLa12 cuboctahedra, corners with twelve equivalent LaLi4La8 cuboctahedra, edges with eighteen equivalent LaLi4La8 cuboctahedra, faces with eight equivalent LiLa12 cuboctahedra, and faces with twelve equivalent LaLi4La8 cuboctahedra. There are six shorter (3.39 Å) and six longer (3.69 Å) Li–La bond lengths. La is bonded to four equivalent Li and eight equivalent La atoms to form distorted LaLi4La8 cuboctahedra that share corners with four equivalent LiLa12 cuboctahedra, corners with fourteen equivalent LaLi4La8 cuboctahedra, edges with six equivalent LiLa12 cuboctahedra, edges with twelve equivalent LaLi4La8 cuboctahedra, faces with four equivalent LiLa12 cuboctahedra, and faces with sixteen equivalent LaLi4La8 cuboctahedra. There are a spread of La–La bond distances ranging from 3.50–3.87 Å.},
doi = {10.17188/1314103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}