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Title: Materials Data on Nd2Ga2Fe15 by Materials Project

Abstract

Nd2Fe15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to eighteen Fe and one Ga atom. There are a spread of Nd–Fe bond distances ranging from 3.06–3.36 Å. The Nd–Ga bond length is 3.07 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Ga atoms to form distorted FeNd2Ga2Fe8 cuboctahedra that share corners with twenty-two FeNd2Ga2Fe8 cuboctahedra, edges with ten FeNd3GaFe8 cuboctahedra, and faces with eighteen FeNd2Ga2Fe8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.46 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.59 Å. In the second Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing FeNd2Ga2Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–2.68 Å. Both Fe–Ga bond lengths are 2.80 Å. In the third Fe site, Fe is bonded to three equivalent Nd, eight Fe, and one Ga atom to form a mixture of edge, corner, and face-sharing FeNd3GaFe8 cuboctahedra. Both Fe–Fe bond lengths are 2.49 Å.more » The Fe–Ga bond length is 2.61 Å. Ga is bonded in a 8-coordinate geometry to one Nd, twelve Fe, and one Ga atom. The Ga–Ga bond length is 2.60 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1106126
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; Nd2Ga2Fe15; Fe-Ga-Nd
OSTI Identifier:
1651657
DOI:
https://doi.org/10.17188/1651657

Citation Formats

The Materials Project. Materials Data on Nd2Ga2Fe15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651657.
The Materials Project. Materials Data on Nd2Ga2Fe15 by Materials Project. United States. doi:https://doi.org/10.17188/1651657
The Materials Project. 2020. "Materials Data on Nd2Ga2Fe15 by Materials Project". United States. doi:https://doi.org/10.17188/1651657. https://www.osti.gov/servlets/purl/1651657. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1651657,
title = {Materials Data on Nd2Ga2Fe15 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Fe15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to eighteen Fe and one Ga atom. There are a spread of Nd–Fe bond distances ranging from 3.06–3.36 Å. The Nd–Ga bond length is 3.07 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Ga atoms to form distorted FeNd2Ga2Fe8 cuboctahedra that share corners with twenty-two FeNd2Ga2Fe8 cuboctahedra, edges with ten FeNd3GaFe8 cuboctahedra, and faces with eighteen FeNd2Ga2Fe8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.46 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.59 Å. In the second Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing FeNd2Ga2Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–2.68 Å. Both Fe–Ga bond lengths are 2.80 Å. In the third Fe site, Fe is bonded to three equivalent Nd, eight Fe, and one Ga atom to form a mixture of edge, corner, and face-sharing FeNd3GaFe8 cuboctahedra. Both Fe–Fe bond lengths are 2.49 Å. The Fe–Ga bond length is 2.61 Å. Ga is bonded in a 8-coordinate geometry to one Nd, twelve Fe, and one Ga atom. The Ga–Ga bond length is 2.60 Å.},
doi = {10.17188/1651657},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}