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Title: Materials Data on La2Al6CuAu by Materials Project

Abstract

La2AuCuAl6 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 4-coordinate geometry to four equivalent Cu and twelve Al atoms. All La–Cu bond lengths are 3.40 Å. There are a spread of La–Al bond distances ranging from 3.22–3.45 Å. In the second La site, La is bonded in a 8-coordinate geometry to four equivalent Au and twelve Al atoms. All La–Au bond lengths are 3.42 Å. There are a spread of La–Al bond distances ranging from 3.24–3.61 Å. Au is bonded in a 5-coordinate geometry to four equivalent La and five Al atoms. There are one shorter (2.53 Å) and four longer (2.57 Å) Au–Al bond lengths. Cu is bonded in a 5-coordinate geometry to four equivalent La and five Al atoms. There are one shorter (2.43 Å) and four longer (2.50 Å) Cu–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to four La and two equivalent Cu atoms. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to fourmore » La and two equivalent Au atoms. In the third Al site, Al is bonded in a distorted single-bond geometry to four equivalent La and one Au atom. In the fourth Al site, Al is bonded in a distorted single-bond geometry to four equivalent La and one Cu atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1225915
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; La2Al6CuAu; Al-Au-Cu-La
OSTI Identifier:
1687008
DOI:
https://doi.org/10.17188/1687008

Citation Formats

The Materials Project. Materials Data on La2Al6CuAu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687008.
The Materials Project. Materials Data on La2Al6CuAu by Materials Project. United States. doi:https://doi.org/10.17188/1687008
The Materials Project. 2020. "Materials Data on La2Al6CuAu by Materials Project". United States. doi:https://doi.org/10.17188/1687008. https://www.osti.gov/servlets/purl/1687008. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687008,
title = {Materials Data on La2Al6CuAu by Materials Project},
author = {The Materials Project},
abstractNote = {La2AuCuAl6 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 4-coordinate geometry to four equivalent Cu and twelve Al atoms. All La–Cu bond lengths are 3.40 Å. There are a spread of La–Al bond distances ranging from 3.22–3.45 Å. In the second La site, La is bonded in a 8-coordinate geometry to four equivalent Au and twelve Al atoms. All La–Au bond lengths are 3.42 Å. There are a spread of La–Al bond distances ranging from 3.24–3.61 Å. Au is bonded in a 5-coordinate geometry to four equivalent La and five Al atoms. There are one shorter (2.53 Å) and four longer (2.57 Å) Au–Al bond lengths. Cu is bonded in a 5-coordinate geometry to four equivalent La and five Al atoms. There are one shorter (2.43 Å) and four longer (2.50 Å) Cu–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to four La and two equivalent Cu atoms. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to four La and two equivalent Au atoms. In the third Al site, Al is bonded in a distorted single-bond geometry to four equivalent La and one Au atom. In the fourth Al site, Al is bonded in a distorted single-bond geometry to four equivalent La and one Cu atom.},
doi = {10.17188/1687008},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}