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Title: Materials Data on Sm4MgIr by Materials Project

Abstract

MgSm4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Sm atoms to form a mixture of corner and face-sharing MgSm9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. There are a spread of Mg–Sm bond distances ranging from 3.41–3.63 Å. There are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Sm, and three equivalent Ir atoms. All Sm–Sm bond lengths are 3.60 Å. All Sm–Ir bond lengths are 2.89 Å. In the second Sm site, Sm is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Sm, and two equivalent Ir atoms. All Sm–Sm bond lengths are 3.72 Å. Both Sm–Ir bond lengths are 2.88 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Mg, ten Sm, and two equivalent Ir atoms. All Sm–Sm bond lengths are 3.70 Å. Both Sm–Ir bond lengths are 3.59 Å. Ir is bonded in a 6-coordinate geometry to nine Sm atoms.

Authors:
Publication Date:
Other Number(s):
mp-1208958
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; Sm4MgIr; Ir-Mg-Sm
OSTI Identifier:
1683639
DOI:
https://doi.org/10.17188/1683639

Citation Formats

The Materials Project. Materials Data on Sm4MgIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683639.
The Materials Project. Materials Data on Sm4MgIr by Materials Project. United States. doi:https://doi.org/10.17188/1683639
The Materials Project. 2020. "Materials Data on Sm4MgIr by Materials Project". United States. doi:https://doi.org/10.17188/1683639. https://www.osti.gov/servlets/purl/1683639. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1683639,
title = {Materials Data on Sm4MgIr by Materials Project},
author = {The Materials Project},
abstractNote = {MgSm4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Sm atoms to form a mixture of corner and face-sharing MgSm9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. There are a spread of Mg–Sm bond distances ranging from 3.41–3.63 Å. There are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Sm, and three equivalent Ir atoms. All Sm–Sm bond lengths are 3.60 Å. All Sm–Ir bond lengths are 2.89 Å. In the second Sm site, Sm is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Sm, and two equivalent Ir atoms. All Sm–Sm bond lengths are 3.72 Å. Both Sm–Ir bond lengths are 2.88 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Mg, ten Sm, and two equivalent Ir atoms. All Sm–Sm bond lengths are 3.70 Å. Both Sm–Ir bond lengths are 3.59 Å. Ir is bonded in a 6-coordinate geometry to nine Sm atoms.},
doi = {10.17188/1683639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}