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Title: Materials Data on Nd4MgCo by Materials Project

Abstract

Nd4MgCo 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 3.10 Å. There are a spread of Mg–Nd bond distances ranging from 3.38–3.61 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Nd, and three equivalent Co atoms. All Nd–Nd bond lengths are 3.56 Å. All Nd–Co bond lengths are 2.85 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg, ten Nd, and two equivalent Co atoms. There are four shorter (3.69 Å) and four longer (3.70 Å) Nd–Nd bond lengths. Both Nd–Co bond lengths are 3.55 Å. In the third Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Nd, and two equivalent Co atoms. Both Nd–Co bond lengths are 2.84 Å. Co is bonded in a 6-coordinate geometry to nine Nd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1210019
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; Nd4MgCo; Co-Mg-Nd
OSTI Identifier:
1681611
DOI:
https://doi.org/10.17188/1681611

Citation Formats

The Materials Project. Materials Data on Nd4MgCo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681611.
The Materials Project. Materials Data on Nd4MgCo by Materials Project. United States. doi:https://doi.org/10.17188/1681611
The Materials Project. 2020. "Materials Data on Nd4MgCo by Materials Project". United States. doi:https://doi.org/10.17188/1681611. https://www.osti.gov/servlets/purl/1681611. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1681611,
title = {Materials Data on Nd4MgCo by Materials Project},
author = {The Materials Project},
abstractNote = {Nd4MgCo 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 3.10 Å. There are a spread of Mg–Nd bond distances ranging from 3.38–3.61 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Nd, and three equivalent Co atoms. All Nd–Nd bond lengths are 3.56 Å. All Nd–Co bond lengths are 2.85 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg, ten Nd, and two equivalent Co atoms. There are four shorter (3.69 Å) and four longer (3.70 Å) Nd–Nd bond lengths. Both Nd–Co bond lengths are 3.55 Å. In the third Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Nd, and two equivalent Co atoms. Both Nd–Co bond lengths are 2.84 Å. Co is bonded in a 6-coordinate geometry to nine Nd atoms.},
doi = {10.17188/1681611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}