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Title: Materials Data on Y4MgIr by Materials Project

Abstract

MgY4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form a mixture of corner and face-sharing MgY9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Y bond distances ranging from 3.33–3.57 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Ir atoms. All Y–Y bond lengths are 3.53 Å. All Y–Ir bond lengths are 2.85 Å. In the second Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Ir atoms. All Y–Y bond lengths are 3.66 Å. Both Y–Ir bond lengths are 2.83 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Ir atoms. All Y–Y bond lengths are 3.64 Å. Both Y–Ir bond lengths are 3.53 Å. Ir is bonded in a 6-coordinate geometry to nine Y atoms.

Authors:
Publication Date:
Other Number(s):
mp-1207822
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; Y4MgIr; Ir-Mg-Y
OSTI Identifier:
1672515
DOI:
https://doi.org/10.17188/1672515

Citation Formats

The Materials Project. Materials Data on Y4MgIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672515.
The Materials Project. Materials Data on Y4MgIr by Materials Project. United States. doi:https://doi.org/10.17188/1672515
The Materials Project. 2020. "Materials Data on Y4MgIr by Materials Project". United States. doi:https://doi.org/10.17188/1672515. https://www.osti.gov/servlets/purl/1672515. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672515,
title = {Materials Data on Y4MgIr by Materials Project},
author = {The Materials Project},
abstractNote = {MgY4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form a mixture of corner and face-sharing MgY9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Y bond distances ranging from 3.33–3.57 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Ir atoms. All Y–Y bond lengths are 3.53 Å. All Y–Ir bond lengths are 2.85 Å. In the second Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Ir atoms. All Y–Y bond lengths are 3.66 Å. Both Y–Ir bond lengths are 2.83 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Ir atoms. All Y–Y bond lengths are 3.64 Å. Both Y–Ir bond lengths are 3.53 Å. Ir is bonded in a 6-coordinate geometry to nine Y atoms.},
doi = {10.17188/1672515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}