Title: Materials Data on Hf4Al3 by Materials Project

Abstract

Hf4Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 8-coordinate geometry to eight Hf and six equivalent Al atoms. There are a spread of Hf–Hf bond distances ranging from 2.61–3.36 Å. All Hf–Al bond lengths are 3.02 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to nine Hf and six equivalent Al atoms. All Hf–Hf bond lengths are 3.09 Å. All Hf–Al bond lengths are 3.12 Å. Al is bonded to eight Hf and four equivalent Al atoms to form a mixture of edge, corner, and face-sharing AlHf8Al4 cuboctahedra. All Al–Al bond lengths are 2.68 Å.

Publication Date:
Other Number(s):
mp-1025223
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Al-Hf; crystal structure; Hf4Al3
OSTI Identifier:
1355230
DOI:
https://doi.org/10.17188/1355230

Citation Formats

Materials Data on Hf4Al3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355230.
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Materials Data on Hf4Al3 by Materials Project. United States. doi:https://doi.org/10.17188/1355230
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2020. "Materials Data on Hf4Al3 by Materials Project". United States. doi:https://doi.org/10.17188/1355230. https://www.osti.gov/servlets/purl/1355230. Pub date:Fri May 01 20:00:00 EDT 2020
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@article{osti_1355230,
title = {Materials Data on Hf4Al3 by Materials Project},
abstractNote = {Hf4Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 8-coordinate geometry to eight Hf and six equivalent Al atoms. There are a spread of Hf–Hf bond distances ranging from 2.61–3.36 Å. All Hf–Al bond lengths are 3.02 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to nine Hf and six equivalent Al atoms. All Hf–Hf bond lengths are 3.09 Å. All Hf–Al bond lengths are 3.12 Å. Al is bonded to eight Hf and four equivalent Al atoms to form a mixture of edge, corner, and face-sharing AlHf8Al4 cuboctahedra. All Al–Al bond lengths are 2.68 Å.},
doi = {10.17188/1355230},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1355230
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