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Title: Materials Data on Hf5Al3 by Materials Project

Abstract

Hf5Al3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to five equivalent Al atoms. There are a spread of Hf–Al bond distances ranging from 2.81–3.13 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to two equivalent Hf and six equivalent Al atoms. Both Hf–Hf bond lengths are 2.85 Å. All Hf–Al bond lengths are 2.87 Å. Al is bonded in a 9-coordinate geometry to nine Hf atoms.

Authors:
Publication Date:
Other Number(s):
mp-2361
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Hf5Al3; Al-Hf
OSTI Identifier:
1199616
DOI:
https://doi.org/10.17188/1199616

Citation Formats

The Materials Project. Materials Data on Hf5Al3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199616.
The Materials Project. Materials Data on Hf5Al3 by Materials Project. United States. doi:https://doi.org/10.17188/1199616
The Materials Project. 2020. "Materials Data on Hf5Al3 by Materials Project". United States. doi:https://doi.org/10.17188/1199616. https://www.osti.gov/servlets/purl/1199616. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199616,
title = {Materials Data on Hf5Al3 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf5Al3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to five equivalent Al atoms. There are a spread of Hf–Al bond distances ranging from 2.81–3.13 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to two equivalent Hf and six equivalent Al atoms. Both Hf–Hf bond lengths are 2.85 Å. All Hf–Al bond lengths are 2.87 Å. Al is bonded in a 9-coordinate geometry to nine Hf atoms.},
doi = {10.17188/1199616},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}