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Title: Materials Data on Nd2Fe15Si2 by Materials Project

Abstract

Nd2Fe15Si2 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 Si atom. There are a spread of Nd–Fe bond distances ranging from 3.03–3.32 Å. The Nd–Si bond length is 3.08 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing FeNd2Fe8Si2 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.45 Å) Fe–Fe bond lengths. Both Fe–Si bond lengths are 2.57 Å. In the second Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing FeNd2Fe8Si2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.41–2.70 Å. Both Fe–Si bond lengths are 2.73 Å. In the third Fe site, Fe is bonded to three equivalent Nd, eight Fe, and one Si atom to form a mixture of edge, face, and corner-sharing FeNd3Fe8Si cuboctahedra. Both Fe–Fe bond lengths are 2.47 Å. The Fe–Si bond length is 2.57 Å. Si is bonded inmore » a 7-coordinate geometry to one Nd, twelve Fe, and one Si atom. The Si–Si bond length is 2.57 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1205374
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; Nd2Fe15Si2; Fe-Nd-Si
OSTI Identifier:
1748462
DOI:
https://doi.org/10.17188/1748462

Citation Formats

The Materials Project. Materials Data on Nd2Fe15Si2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748462.
The Materials Project. Materials Data on Nd2Fe15Si2 by Materials Project. United States. doi:https://doi.org/10.17188/1748462
The Materials Project. 2020. "Materials Data on Nd2Fe15Si2 by Materials Project". United States. doi:https://doi.org/10.17188/1748462. https://www.osti.gov/servlets/purl/1748462. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1748462,
title = {Materials Data on Nd2Fe15Si2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Fe15Si2 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 Si atom. There are a spread of Nd–Fe bond distances ranging from 3.03–3.32 Å. The Nd–Si bond length is 3.08 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing FeNd2Fe8Si2 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.45 Å) Fe–Fe bond lengths. Both Fe–Si bond lengths are 2.57 Å. In the second Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing FeNd2Fe8Si2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.41–2.70 Å. Both Fe–Si bond lengths are 2.73 Å. In the third Fe site, Fe is bonded to three equivalent Nd, eight Fe, and one Si atom to form a mixture of edge, face, and corner-sharing FeNd3Fe8Si cuboctahedra. Both Fe–Fe bond lengths are 2.47 Å. The Fe–Si bond length is 2.57 Å. Si is bonded in a 7-coordinate geometry to one Nd, twelve Fe, and one Si atom. The Si–Si bond length is 2.57 Å.},
doi = {10.17188/1748462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}