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Title: Materials Data on Fe25Mo4 by Materials Project

Abstract

Mo4Fe25 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Mo is bonded in a 3-coordinate geometry to sixteen Fe atoms. There are a spread of Mo–Fe bond distances ranging from 2.50–3.00 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent Mo and twelve equivalent Fe atoms. All Fe–Fe bond lengths are 2.76 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to two equivalent Mo and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.36–2.68 Å. In the third Fe site, Fe is bonded to three equivalent Mo and nine Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeFe9Mo3 cuboctahedra. There are one shorter (2.33 Å) and two longer (2.37 Å) Fe–Fe bond lengths.

Publication Date:
Other Number(s):
mp-1193426
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Fe25Mo4; Fe-Mo
OSTI Identifier:
1743951
DOI:
https://doi.org/10.17188/1743951

Citation Formats

The Materials Project. Materials Data on Fe25Mo4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743951.
The Materials Project. Materials Data on Fe25Mo4 by Materials Project. United States. doi:https://doi.org/10.17188/1743951
The Materials Project. 2020. "Materials Data on Fe25Mo4 by Materials Project". United States. doi:https://doi.org/10.17188/1743951. https://www.osti.gov/servlets/purl/1743951. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1743951,
title = {Materials Data on Fe25Mo4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo4Fe25 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Mo is bonded in a 3-coordinate geometry to sixteen Fe atoms. There are a spread of Mo–Fe bond distances ranging from 2.50–3.00 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent Mo and twelve equivalent Fe atoms. All Fe–Fe bond lengths are 2.76 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to two equivalent Mo and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.36–2.68 Å. In the third Fe site, Fe is bonded to three equivalent Mo and nine Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeFe9Mo3 cuboctahedra. There are one shorter (2.33 Å) and two longer (2.37 Å) Fe–Fe bond lengths.},
doi = {10.17188/1743951},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}