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Title: Materials Data on Nd3Fe3Sb7 by Materials Project

Abstract

Nd3Fe3Sb7 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Sb+2.57- atoms. There are a spread of Nd–Sb bond distances ranging from 3.23–3.57 Å. Fe3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb+2.57- atoms. There are a spread of Fe–Sb bond distances ranging from 2.62–2.98 Å. There are three inequivalent Sb+2.57- sites. In the first Sb+2.57- site, Sb+2.57- is bonded to six equivalent Nd3+ atoms to form distorted face-sharing SbNd6 pentagonal pyramids. In the second Sb+2.57- site, Sb+2.57- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four Sb+2.57- atoms. There are two shorter (3.01 Å) and two longer (3.37 Å) Sb–Sb bond lengths. In the third Sb+2.57- site, Sb+2.57- is bonded in a 5-coordinate geometry to three equivalent Nd3+, four equivalent Fe3+, and two equivalent Sb+2.57- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1209931
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; Nd3Fe3Sb7; Fe-Nd-Sb
OSTI Identifier:
1689784
DOI:
https://doi.org/10.17188/1689784

Citation Formats

The Materials Project. Materials Data on Nd3Fe3Sb7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689784.
The Materials Project. Materials Data on Nd3Fe3Sb7 by Materials Project. United States. doi:https://doi.org/10.17188/1689784
The Materials Project. 2020. "Materials Data on Nd3Fe3Sb7 by Materials Project". United States. doi:https://doi.org/10.17188/1689784. https://www.osti.gov/servlets/purl/1689784. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1689784,
title = {Materials Data on Nd3Fe3Sb7 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3Fe3Sb7 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Sb+2.57- atoms. There are a spread of Nd–Sb bond distances ranging from 3.23–3.57 Å. Fe3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb+2.57- atoms. There are a spread of Fe–Sb bond distances ranging from 2.62–2.98 Å. There are three inequivalent Sb+2.57- sites. In the first Sb+2.57- site, Sb+2.57- is bonded to six equivalent Nd3+ atoms to form distorted face-sharing SbNd6 pentagonal pyramids. In the second Sb+2.57- site, Sb+2.57- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four Sb+2.57- atoms. There are two shorter (3.01 Å) and two longer (3.37 Å) Sb–Sb bond lengths. In the third Sb+2.57- site, Sb+2.57- is bonded in a 5-coordinate geometry to three equivalent Nd3+, four equivalent Fe3+, and two equivalent Sb+2.57- atoms.},
doi = {10.17188/1689784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}