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Title: Materials Data on Ho(Al2Fe)4 by Materials Project

Abstract

HoFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Ho–Fe bond lengths are 3.32 Å. There are four shorter (2.95 Å) and eight longer (3.16 Å) Ho–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Ho, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.52 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ho, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.

Publication Date:
Other Number(s):
mp-31179
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; Ho(Al2Fe)4; Al-Fe-Ho
OSTI Identifier:
1205483
DOI:
10.17188/1205483

Citation Formats

The Materials Project. Materials Data on Ho(Al2Fe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205483.
The Materials Project. Materials Data on Ho(Al2Fe)4 by Materials Project. United States. doi:10.17188/1205483.
The Materials Project. 2020. "Materials Data on Ho(Al2Fe)4 by Materials Project". United States. doi:10.17188/1205483. https://www.osti.gov/servlets/purl/1205483. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205483,
title = {Materials Data on Ho(Al2Fe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {HoFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Ho–Fe bond lengths are 3.32 Å. There are four shorter (2.95 Å) and eight longer (3.16 Å) Ho–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Ho, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.52 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ho, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.},
doi = {10.17188/1205483},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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