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Title: Materials Data on LiLu3 by Materials Project

Abstract

LiLu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Lu atoms to form LiLu12 cuboctahedra that share corners with six equivalent LiLu12 cuboctahedra, corners with twelve equivalent LuLi4Lu8 cuboctahedra, edges with eighteen equivalent LuLi4Lu8 cuboctahedra, faces with eight equivalent LiLu12 cuboctahedra, and faces with twelve equivalent LuLi4Lu8 cuboctahedra. There are six shorter (3.34 Å) and six longer (3.42 Å) Li–Lu bond lengths. Lu is bonded to four equivalent Li and eight equivalent Lu atoms to form distorted LuLi4Lu8 cuboctahedra that share corners with four equivalent LiLu12 cuboctahedra, corners with fourteen equivalent LuLi4Lu8 cuboctahedra, edges with six equivalent LiLu12 cuboctahedra, edges with twelve equivalent LuLi4Lu8 cuboctahedra, faces with four equivalent LiLu12 cuboctahedra, and faces with sixteen equivalent LuLi4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.36–3.44 Å.

Authors:
Publication Date:
Other Number(s):
mp-973493
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; LiLu3; Li-Lu
OSTI Identifier:
1314125
DOI:
https://doi.org/10.17188/1314125

Citation Formats

The Materials Project. Materials Data on LiLu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314125.
The Materials Project. Materials Data on LiLu3 by Materials Project. United States. doi:https://doi.org/10.17188/1314125
The Materials Project. 2020. "Materials Data on LiLu3 by Materials Project". United States. doi:https://doi.org/10.17188/1314125. https://www.osti.gov/servlets/purl/1314125. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1314125,
title = {Materials Data on LiLu3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Lu atoms to form LiLu12 cuboctahedra that share corners with six equivalent LiLu12 cuboctahedra, corners with twelve equivalent LuLi4Lu8 cuboctahedra, edges with eighteen equivalent LuLi4Lu8 cuboctahedra, faces with eight equivalent LiLu12 cuboctahedra, and faces with twelve equivalent LuLi4Lu8 cuboctahedra. There are six shorter (3.34 Å) and six longer (3.42 Å) Li–Lu bond lengths. Lu is bonded to four equivalent Li and eight equivalent Lu atoms to form distorted LuLi4Lu8 cuboctahedra that share corners with four equivalent LiLu12 cuboctahedra, corners with fourteen equivalent LuLi4Lu8 cuboctahedra, edges with six equivalent LiLu12 cuboctahedra, edges with twelve equivalent LuLi4Lu8 cuboctahedra, faces with four equivalent LiLu12 cuboctahedra, and faces with sixteen equivalent LuLi4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.36–3.44 Å.},
doi = {10.17188/1314125},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}