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Title: Materials Data on Fe7W6 by Materials Project

Abstract

Fe7W6 is Frank-Kasper $$\mu$$ Phase structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to six equivalent W and six equivalent Fe atoms. There are three shorter (3.02 Å) and three longer (3.05 Å) W–W bond lengths. There are three shorter (2.71 Å) and three longer (2.76 Å) W–Fe bond lengths. In the second W site, W is bonded in a 12-coordinate geometry to four W and twelve Fe atoms. There are one shorter (2.67 Å) and three longer (2.86 Å) W–W bond lengths. There are a spread of W–Fe bond distances ranging from 2.72–2.86 Å. In the third W site, W is bonded in a 6-coordinate geometry to eight W and six equivalent Fe atoms. The W–W bond length is 2.56 Å. All W–Fe bond lengths are 2.62 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent W and six equivalent Fe atoms to form FeFe6W6 cuboctahedra that share corners with twelve equivalent FeFe5W7 cuboctahedra, edges with six equivalent FeFe6W6 cuboctahedra, and faces with eighteen equivalent FeFe5W7 cuboctahedra. All Fe–Fe bond lengths are 2.41 Å. In the second Fe site, Fe is bonded to seven W and five Fe atoms to form FeFe5W7 cuboctahedra that share corners with fifteen FeFe6W6 cuboctahedra, edges with five equivalent FeFe5W7 cuboctahedra, and faces with thirteen FeFe6W6 cuboctahedra. There are two shorter (2.36 Å) and two longer (2.40 Å) Fe–Fe bond lengths.

Publication Date:
Other Number(s):
mp-1473
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; Fe7W6; Fe-W
OSTI Identifier:
1190853
DOI:
10.17188/1190853

Citation Formats

The Materials Project. Materials Data on Fe7W6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190853.
The Materials Project. Materials Data on Fe7W6 by Materials Project. United States. doi:10.17188/1190853.
The Materials Project. 2020. "Materials Data on Fe7W6 by Materials Project". United States. doi:10.17188/1190853. https://www.osti.gov/servlets/purl/1190853. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190853,
title = {Materials Data on Fe7W6 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe7W6 is Frank-Kasper $\mu$ Phase structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to six equivalent W and six equivalent Fe atoms. There are three shorter (3.02 Å) and three longer (3.05 Å) W–W bond lengths. There are three shorter (2.71 Å) and three longer (2.76 Å) W–Fe bond lengths. In the second W site, W is bonded in a 12-coordinate geometry to four W and twelve Fe atoms. There are one shorter (2.67 Å) and three longer (2.86 Å) W–W bond lengths. There are a spread of W–Fe bond distances ranging from 2.72–2.86 Å. In the third W site, W is bonded in a 6-coordinate geometry to eight W and six equivalent Fe atoms. The W–W bond length is 2.56 Å. All W–Fe bond lengths are 2.62 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent W and six equivalent Fe atoms to form FeFe6W6 cuboctahedra that share corners with twelve equivalent FeFe5W7 cuboctahedra, edges with six equivalent FeFe6W6 cuboctahedra, and faces with eighteen equivalent FeFe5W7 cuboctahedra. All Fe–Fe bond lengths are 2.41 Å. In the second Fe site, Fe is bonded to seven W and five Fe atoms to form FeFe5W7 cuboctahedra that share corners with fifteen FeFe6W6 cuboctahedra, edges with five equivalent FeFe5W7 cuboctahedra, and faces with thirteen FeFe6W6 cuboctahedra. There are two shorter (2.36 Å) and two longer (2.40 Å) Fe–Fe bond lengths.},
doi = {10.17188/1190853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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