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Title: Materials Data on LaAl4Co by Materials Project

Abstract

LaCoAl4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to one Co and twelve Al atoms. The La–Co bond length is 3.02 Å. There are a spread of La–Al bond distances ranging from 3.15–3.33 Å. Co is bonded in a 9-coordinate geometry to one La and eight Al atoms. There are two shorter (2.31 Å) and six longer (2.57 Å) Co–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent La, two equivalent Co, and eight Al atoms. There are four shorter (2.82 Å) and four longer (2.93 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent La, two equivalent Co, and eight Al atoms. There are two shorter (2.73 Å) and two longer (3.02 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Co, and six Al atoms. There are one shorter (2.76 Å) and one longer (3.12 Å) Al–Al bond lengths.

Publication Date:
Other Number(s):
mp-12274
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; LaAl4Co; Al-Co-La
OSTI Identifier:
1188682
DOI:
https://doi.org/10.17188/1188682

Citation Formats

The Materials Project. Materials Data on LaAl4Co by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188682.
The Materials Project. Materials Data on LaAl4Co by Materials Project. United States. doi:https://doi.org/10.17188/1188682
The Materials Project. 2020. "Materials Data on LaAl4Co by Materials Project". United States. doi:https://doi.org/10.17188/1188682. https://www.osti.gov/servlets/purl/1188682. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188682,
title = {Materials Data on LaAl4Co by Materials Project},
author = {The Materials Project},
abstractNote = {LaCoAl4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to one Co and twelve Al atoms. The La–Co bond length is 3.02 Å. There are a spread of La–Al bond distances ranging from 3.15–3.33 Å. Co is bonded in a 9-coordinate geometry to one La and eight Al atoms. There are two shorter (2.31 Å) and six longer (2.57 Å) Co–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent La, two equivalent Co, and eight Al atoms. There are four shorter (2.82 Å) and four longer (2.93 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent La, two equivalent Co, and eight Al atoms. There are two shorter (2.73 Å) and two longer (3.02 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Co, and six Al atoms. There are one shorter (2.76 Å) and one longer (3.12 Å) Al–Al bond lengths.},
doi = {10.17188/1188682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}