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Title: Materials Data on La4MgIr by Materials Project

Abstract

MgLa4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine La atoms to form a mixture of corner and face-sharing MgLa9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. There are a spread of Mg–La bond distances ranging from 3.51–3.72 Å. There are three inequivalent La sites. In the first La site, La is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg and two equivalent Ir atoms. Both La–Ir bond lengths are 3.66 Å. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ir atoms. Both La–Ir bond lengths are 2.96 Å. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ir atoms. All La–Ir bond lengths are 2.96 Å. Ir is bonded in a 6-coordinate geometry to nine La atoms.

Publication Date:
Other Number(s):
mp-570078
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; La4MgIr; Ir-La-Mg
OSTI Identifier:
1275458
DOI:
10.17188/1275458

Citation Formats

The Materials Project. Materials Data on La4MgIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275458.
The Materials Project. Materials Data on La4MgIr by Materials Project. United States. doi:10.17188/1275458.
The Materials Project. 2020. "Materials Data on La4MgIr by Materials Project". United States. doi:10.17188/1275458. https://www.osti.gov/servlets/purl/1275458. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1275458,
title = {Materials Data on La4MgIr by Materials Project},
author = {The Materials Project},
abstractNote = {MgLa4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine La atoms to form a mixture of corner and face-sharing MgLa9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. There are a spread of Mg–La bond distances ranging from 3.51–3.72 Å. There are three inequivalent La sites. In the first La site, La is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg and two equivalent Ir atoms. Both La–Ir bond lengths are 3.66 Å. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ir atoms. Both La–Ir bond lengths are 2.96 Å. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ir atoms. All La–Ir bond lengths are 2.96 Å. Ir is bonded in a 6-coordinate geometry to nine La atoms.},
doi = {10.17188/1275458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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