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Title: Materials Data on Zr6FeSb2 by Materials Project

Abstract

Zr6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Zr–Fe bond length is 3.14 Å. All Zr–Sb bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Zr–Fe bond lengths are 2.61 Å. Both Zr–Sb bond lengths are 3.05 Å. Fe is bonded in a 6-coordinate geometry to nine Zr atoms. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:
Publication Date:
Other Number(s):
mp-12962
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; Zr6FeSb2; Fe-Sb-Zr
OSTI Identifier:
1189295
DOI:
https://doi.org/10.17188/1189295

Citation Formats

The Materials Project. Materials Data on Zr6FeSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189295.
The Materials Project. Materials Data on Zr6FeSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1189295
The Materials Project. 2020. "Materials Data on Zr6FeSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1189295. https://www.osti.gov/servlets/purl/1189295. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189295,
title = {Materials Data on Zr6FeSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Zr–Fe bond length is 3.14 Å. All Zr–Sb bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Zr–Fe bond lengths are 2.61 Å. Both Zr–Sb bond lengths are 3.05 Å. Fe is bonded in a 6-coordinate geometry to nine Zr atoms. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1189295},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}