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Title: Materials Data on Hf9FeRe4 by Materials Project

Abstract

Hf9Re4Fe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 1-coordinate geometry to four Re and one Fe atom. There are a spread of Hf–Re bond distances ranging from 2.92–3.05 Å. The Hf–Fe bond length is 2.56 Å. In the second Hf site, Hf is bonded in a 3-coordinate geometry to two equivalent Re and one Fe atom. Both Hf–Re bond lengths are 2.88 Å. The Hf–Fe bond length is 3.06 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to eight Hf and four Re atoms. There are two shorter (2.67 Å) and two longer (2.84 Å) Re–Re bond lengths. In the second Re site, Re is bonded to six equivalent Hf and six equivalent Re atoms to form face-sharing ReHf6Re6 cuboctahedra. Fe is bonded in a 6-coordinate geometry to nine Hf atoms.

Publication Date:
Other Number(s):
mp-1194204
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; Hf9FeRe4; Fe-Hf-Re
OSTI Identifier:
1662682
DOI:
https://doi.org/10.17188/1662682

Citation Formats

The Materials Project. Materials Data on Hf9FeRe4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662682.
The Materials Project. Materials Data on Hf9FeRe4 by Materials Project. United States. doi:https://doi.org/10.17188/1662682
The Materials Project. 2019. "Materials Data on Hf9FeRe4 by Materials Project". United States. doi:https://doi.org/10.17188/1662682. https://www.osti.gov/servlets/purl/1662682. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1662682,
title = {Materials Data on Hf9FeRe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf9Re4Fe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 1-coordinate geometry to four Re and one Fe atom. There are a spread of Hf–Re bond distances ranging from 2.92–3.05 Å. The Hf–Fe bond length is 2.56 Å. In the second Hf site, Hf is bonded in a 3-coordinate geometry to two equivalent Re and one Fe atom. Both Hf–Re bond lengths are 2.88 Å. The Hf–Fe bond length is 3.06 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to eight Hf and four Re atoms. There are two shorter (2.67 Å) and two longer (2.84 Å) Re–Re bond lengths. In the second Re site, Re is bonded to six equivalent Hf and six equivalent Re atoms to form face-sharing ReHf6Re6 cuboctahedra. Fe is bonded in a 6-coordinate geometry to nine Hf atoms.},
doi = {10.17188/1662682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}