DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Zn9Fe4 by Materials Project

Abstract

Fe4Zn9 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to three equivalent Fe and nine Zn atoms to form a mixture of face and corner-sharing FeZn9Fe3 cuboctahedra. All Fe–Fe bond lengths are 2.45 Å. There are a spread of Fe–Zn bond distances ranging from 2.63–2.68 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to six Fe and six Zn atoms. All Fe–Fe bond lengths are 2.62 Å. There are three shorter (2.57 Å) and three longer (2.62 Å) Fe–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to three Fe and four equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.07 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to four Fe and nine Zn atoms. The Zn–Zn bond length is 2.58 Å.

Authors:
Publication Date:
Other Number(s):
mp-1207450
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; Zn9Fe4; Fe-Zn
OSTI Identifier:
1683887
DOI:
https://doi.org/10.17188/1683887

Citation Formats

The Materials Project. Materials Data on Zn9Fe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683887.
The Materials Project. Materials Data on Zn9Fe4 by Materials Project. United States. doi:https://doi.org/10.17188/1683887
The Materials Project. 2020. "Materials Data on Zn9Fe4 by Materials Project". United States. doi:https://doi.org/10.17188/1683887. https://www.osti.gov/servlets/purl/1683887. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1683887,
title = {Materials Data on Zn9Fe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe4Zn9 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to three equivalent Fe and nine Zn atoms to form a mixture of face and corner-sharing FeZn9Fe3 cuboctahedra. All Fe–Fe bond lengths are 2.45 Å. There are a spread of Fe–Zn bond distances ranging from 2.63–2.68 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to six Fe and six Zn atoms. All Fe–Fe bond lengths are 2.62 Å. There are three shorter (2.57 Å) and three longer (2.62 Å) Fe–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to three Fe and four equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.07 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to four Fe and nine Zn atoms. The Zn–Zn bond length is 2.58 Å.},
doi = {10.17188/1683887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}