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Title: Materials Data on La2CuSi3 by Materials Project

Abstract

La2CuSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to three equivalent Cu and nine Si atoms to form a mixture of edge and face-sharing LaCu3Si9 cuboctahedra. All La–Cu bond lengths are 3.21 Å. There are three shorter (3.21 Å) and six longer (3.24 Å) La–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Cu–Si bond lengths are 2.40 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Si–Si bond lengths are 2.40 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms.

Authors:
Publication Date:
Other Number(s):
mp-1223228
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; La2CuSi3; Cu-La-Si
OSTI Identifier:
1740568
DOI:
https://doi.org/10.17188/1740568

Citation Formats

The Materials Project. Materials Data on La2CuSi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740568.
The Materials Project. Materials Data on La2CuSi3 by Materials Project. United States. doi:https://doi.org/10.17188/1740568
The Materials Project. 2020. "Materials Data on La2CuSi3 by Materials Project". United States. doi:https://doi.org/10.17188/1740568. https://www.osti.gov/servlets/purl/1740568. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740568,
title = {Materials Data on La2CuSi3 by Materials Project},
author = {The Materials Project},
abstractNote = {La2CuSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to three equivalent Cu and nine Si atoms to form a mixture of edge and face-sharing LaCu3Si9 cuboctahedra. All La–Cu bond lengths are 3.21 Å. There are three shorter (3.21 Å) and six longer (3.24 Å) La–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Cu–Si bond lengths are 2.40 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Si–Si bond lengths are 2.40 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms.},
doi = {10.17188/1740568},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}