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Title: Materials Data on Hf2Al3 by Materials Project

Abstract

Hf2Al3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to nine Al atoms. There are a spread of Hf–Al bond distances ranging from 2.84–3.17 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Al atoms. There are two shorter (2.66 Å) and two longer (2.70 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to six equivalent Hf and four Al atoms. Both Al–Al bond lengths are 2.77 Å.

Authors:
Publication Date:
Other Number(s):
mp-846
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; Hf2Al3; Al-Hf
OSTI Identifier:
1308117
DOI:
https://doi.org/10.17188/1308117

Citation Formats

The Materials Project. Materials Data on Hf2Al3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308117.
The Materials Project. Materials Data on Hf2Al3 by Materials Project. United States. doi:https://doi.org/10.17188/1308117
The Materials Project. 2020. "Materials Data on Hf2Al3 by Materials Project". United States. doi:https://doi.org/10.17188/1308117. https://www.osti.gov/servlets/purl/1308117. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1308117,
title = {Materials Data on Hf2Al3 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2Al3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to nine Al atoms. There are a spread of Hf–Al bond distances ranging from 2.84–3.17 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Al atoms. There are two shorter (2.66 Å) and two longer (2.70 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to six equivalent Hf and four Al atoms. Both Al–Al bond lengths are 2.77 Å.},
doi = {10.17188/1308117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}