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Title: Materials Data on LaCoSi3 by Materials Project

Abstract

LaCoSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La3+ is bonded to twelve Si+1.33- atoms to form a mixture of edge, face, and corner-sharing LaSi12 cuboctahedra. There are a spread of La–Si bond distances ranging from 3.05–3.25 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.29 Å) and four longer (2.30 Å) Co–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent La3+, one Co1+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.63 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four equivalent La3+, two equivalent Co1+, and two equivalent Si+1.33- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1068559
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; LaCoSi3; Co-La-Si
OSTI Identifier:
1740954
DOI:
https://doi.org/10.17188/1740954

Citation Formats

The Materials Project. Materials Data on LaCoSi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740954.
The Materials Project. Materials Data on LaCoSi3 by Materials Project. United States. doi:https://doi.org/10.17188/1740954
The Materials Project. 2020. "Materials Data on LaCoSi3 by Materials Project". United States. doi:https://doi.org/10.17188/1740954. https://www.osti.gov/servlets/purl/1740954. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1740954,
title = {Materials Data on LaCoSi3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaCoSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La3+ is bonded to twelve Si+1.33- atoms to form a mixture of edge, face, and corner-sharing LaSi12 cuboctahedra. There are a spread of La–Si bond distances ranging from 3.05–3.25 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.29 Å) and four longer (2.30 Å) Co–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent La3+, one Co1+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.63 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four equivalent La3+, two equivalent Co1+, and two equivalent Si+1.33- atoms.},
doi = {10.17188/1740954},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}