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Title: Materials Data on Nd4MgIr by Materials Project

Abstract

MgNd4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Nd atoms to form a mixture of corner and face-sharing MgNd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. There are a spread of Mg–Nd bond distances ranging from 3.44–3.66 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ir atoms. All Nd–Ir bond lengths are 2.92 Å. In the second Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ir atoms. Both Nd–Ir bond lengths are 2.92 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Ir atoms. Both Nd–Ir bond lengths are 3.62 Å. Ir is bonded in a 6-coordinate geometry to nine Nd atoms.

Publication Date:
Other Number(s):
mp-567342
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; Nd4MgIr; Ir-Mg-Nd
OSTI Identifier:
1273818
DOI:
10.17188/1273818

Citation Formats

The Materials Project. Materials Data on Nd4MgIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273818.
The Materials Project. Materials Data on Nd4MgIr by Materials Project. United States. doi:10.17188/1273818.
The Materials Project. 2020. "Materials Data on Nd4MgIr by Materials Project". United States. doi:10.17188/1273818. https://www.osti.gov/servlets/purl/1273818. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1273818,
title = {Materials Data on Nd4MgIr by Materials Project},
author = {The Materials Project},
abstractNote = {MgNd4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Nd atoms to form a mixture of corner and face-sharing MgNd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. There are a spread of Mg–Nd bond distances ranging from 3.44–3.66 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ir atoms. All Nd–Ir bond lengths are 2.92 Å. In the second Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ir atoms. Both Nd–Ir bond lengths are 2.92 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Ir atoms. Both Nd–Ir bond lengths are 3.62 Å. Ir is bonded in a 6-coordinate geometry to nine Nd atoms.},
doi = {10.17188/1273818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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