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Title: Materials Data on LaCu4 by Materials Project

Abstract

LaCu4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to sixteen Cu atoms. There are a spread of La–Cu bond distances ranging from 2.96–3.43 Å. In the second La site, La is bonded in a 6-coordinate geometry to fourteen Cu atoms. There are a spread of La–Cu bond distances ranging from 3.01–3.29 Å. In the third La site, La is bonded in a 8-coordinate geometry to sixteen Cu atoms. There are a spread of La–Cu bond distances ranging from 3.06–3.30 Å. In the fourth La site, La is bonded in a 10-coordinate geometry to sixteen Cu atoms. There are a spread of La–Cu bond distances ranging from 3.02–3.31 Å. There are eight inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to four La and six Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.53–2.78 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four La and five Cu atoms. There are a spread of Cu–Cu bondmore » distances ranging from 2.49–2.69 Å. In the third Cu site, Cu is bonded to four La and eight Cu atoms to form a mixture of edge, face, and corner-sharing CuLa4Cu8 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.51–2.68 Å. In the fourth Cu site, Cu is bonded in a 10-coordinate geometry to four La and six Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.43–2.87 Å. In the fifth Cu site, Cu is bonded in a 11-coordinate geometry to five La and six Cu atoms. In the sixth Cu site, Cu is bonded in a 12-coordinate geometry to four La and six Cu atoms. There are two shorter (2.51 Å) and one longer (2.78 Å) Cu–Cu bond lengths. In the seventh Cu site, Cu is bonded to two La and ten Cu atoms to form a mixture of face and corner-sharing CuLa2Cu10 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.47–2.63 Å. In the eighth Cu site, Cu is bonded to four La and eight Cu atoms to form a mixture of edge, face, and corner-sharing CuLa4Cu8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-30589
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; LaCu4; Cu-La
OSTI Identifier:
1204976
DOI:
10.17188/1204976

Citation Formats

The Materials Project. Materials Data on LaCu4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204976.
The Materials Project. Materials Data on LaCu4 by Materials Project. United States. doi:10.17188/1204976.
The Materials Project. 2020. "Materials Data on LaCu4 by Materials Project". United States. doi:10.17188/1204976. https://www.osti.gov/servlets/purl/1204976. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204976,
title = {Materials Data on LaCu4 by Materials Project},
author = {The Materials Project},
abstractNote = {LaCu4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to sixteen Cu atoms. There are a spread of La–Cu bond distances ranging from 2.96–3.43 Å. In the second La site, La is bonded in a 6-coordinate geometry to fourteen Cu atoms. There are a spread of La–Cu bond distances ranging from 3.01–3.29 Å. In the third La site, La is bonded in a 8-coordinate geometry to sixteen Cu atoms. There are a spread of La–Cu bond distances ranging from 3.06–3.30 Å. In the fourth La site, La is bonded in a 10-coordinate geometry to sixteen Cu atoms. There are a spread of La–Cu bond distances ranging from 3.02–3.31 Å. There are eight inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to four La and six Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.53–2.78 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four La and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.49–2.69 Å. In the third Cu site, Cu is bonded to four La and eight Cu atoms to form a mixture of edge, face, and corner-sharing CuLa4Cu8 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.51–2.68 Å. In the fourth Cu site, Cu is bonded in a 10-coordinate geometry to four La and six Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.43–2.87 Å. In the fifth Cu site, Cu is bonded in a 11-coordinate geometry to five La and six Cu atoms. In the sixth Cu site, Cu is bonded in a 12-coordinate geometry to four La and six Cu atoms. There are two shorter (2.51 Å) and one longer (2.78 Å) Cu–Cu bond lengths. In the seventh Cu site, Cu is bonded to two La and ten Cu atoms to form a mixture of face and corner-sharing CuLa2Cu10 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.47–2.63 Å. In the eighth Cu site, Cu is bonded to four La and eight Cu atoms to form a mixture of edge, face, and corner-sharing CuLa4Cu8 cuboctahedra.},
doi = {10.17188/1204976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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