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Title: Materials Data on La3Lu by Materials Project

Abstract

LuLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded to twelve La atoms to form LuLa12 cuboctahedra that share corners with four equivalent LuLa12 cuboctahedra, corners with eight equivalent LaLa8Lu4 cuboctahedra, edges with eight equivalent LuLa12 cuboctahedra, edges with sixteen equivalent LaLa8Lu4 cuboctahedra, faces with four equivalent LuLa12 cuboctahedra, and faces with fourteen LaLa8Lu4 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.69 Å) Lu–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Lu and eight La atoms to form LaLa8Lu4 cuboctahedra that share corners with twelve equivalent LaLa8Lu4 cuboctahedra, edges with eight equivalent LuLa12 cuboctahedra, edges with sixteen LaLa8Lu4 cuboctahedra, faces with four equivalent LuLa12 cuboctahedra, and faces with fourteen LaLa8Lu4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.69 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Lu and eight equivalent La atoms to form LaLa8Lu4 cuboctahedra that share corners with four equivalent LaLa8Lu4 cuboctahedra, corners with eight equivalent LuLa12 cuboctahedra, edges with twenty-four LaLa8Lu4 cuboctahedra, faces with six equivalent LuLa12 cuboctahedra, and faces withmore » twelve LaLa8Lu4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1185170
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; La3Lu; La-Lu
OSTI Identifier:
1685209
DOI:
https://doi.org/10.17188/1685209

Citation Formats

The Materials Project. Materials Data on La3Lu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685209.
The Materials Project. Materials Data on La3Lu by Materials Project. United States. doi:https://doi.org/10.17188/1685209
The Materials Project. 2020. "Materials Data on La3Lu by Materials Project". United States. doi:https://doi.org/10.17188/1685209. https://www.osti.gov/servlets/purl/1685209. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1685209,
title = {Materials Data on La3Lu by Materials Project},
author = {The Materials Project},
abstractNote = {LuLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded to twelve La atoms to form LuLa12 cuboctahedra that share corners with four equivalent LuLa12 cuboctahedra, corners with eight equivalent LaLa8Lu4 cuboctahedra, edges with eight equivalent LuLa12 cuboctahedra, edges with sixteen equivalent LaLa8Lu4 cuboctahedra, faces with four equivalent LuLa12 cuboctahedra, and faces with fourteen LaLa8Lu4 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.69 Å) Lu–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Lu and eight La atoms to form LaLa8Lu4 cuboctahedra that share corners with twelve equivalent LaLa8Lu4 cuboctahedra, edges with eight equivalent LuLa12 cuboctahedra, edges with sixteen LaLa8Lu4 cuboctahedra, faces with four equivalent LuLa12 cuboctahedra, and faces with fourteen LaLa8Lu4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.69 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Lu and eight equivalent La atoms to form LaLa8Lu4 cuboctahedra that share corners with four equivalent LaLa8Lu4 cuboctahedra, corners with eight equivalent LuLa12 cuboctahedra, edges with twenty-four LaLa8Lu4 cuboctahedra, faces with six equivalent LuLa12 cuboctahedra, and faces with twelve LaLa8Lu4 cuboctahedra.},
doi = {10.17188/1685209},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}