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Title: Materials Data on La2(Al3Ir)3 by Materials Project

Abstract

La2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of La–Al bond distances ranging from 3.11–3.20 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.62–2.65 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.62–2.64 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ir, and six Al atoms. There are two shorter (2.75 Å) and four longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent La, three Ir, and one Al atom. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent La and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalentmore » Ir, and one Al atom.« less

Publication Date:
Other Number(s):
mp-1211311
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; La2(Al3Ir)3; Al-Ir-La
OSTI Identifier:
1699032
DOI:
https://doi.org/10.17188/1699032

Citation Formats

The Materials Project. Materials Data on La2(Al3Ir)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699032.
The Materials Project. Materials Data on La2(Al3Ir)3 by Materials Project. United States. doi:https://doi.org/10.17188/1699032
The Materials Project. 2020. "Materials Data on La2(Al3Ir)3 by Materials Project". United States. doi:https://doi.org/10.17188/1699032. https://www.osti.gov/servlets/purl/1699032. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1699032,
title = {Materials Data on La2(Al3Ir)3 by Materials Project},
author = {The Materials Project},
abstractNote = {La2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of La–Al bond distances ranging from 3.11–3.20 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.62–2.65 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.62–2.64 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ir, and six Al atoms. There are two shorter (2.75 Å) and four longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent La, three Ir, and one Al atom. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent La and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ir, and one Al atom.},
doi = {10.17188/1699032},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}