U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf3Al2 by Materials Project
Abstract
Hf3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (2.80 Å) and four longer (2.91 Å) Hf–Al bond lengths. In the second Hf site, Hf is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Hf–Al bond lengths are 3.03 Å. In the third Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (2.75 Å) and four longer (2.91 Å) Hf–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Hf and two equivalent Al atoms. There are one shorter (2.60 Å) and one longer (2.89 Å) Al–Al bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-8462
- 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; Hf3Al2; Al-Hf
- OSTI Identifier:
- 1308118
- DOI:
- https://doi.org/10.17188/1308118
Citation Formats
The Materials Project. Materials Data on Hf3Al2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1308118.
The Materials Project. Materials Data on Hf3Al2 by Materials Project. United States. doi:https://doi.org/10.17188/1308118
The Materials Project. 2020.
"Materials Data on Hf3Al2 by Materials Project". United States. doi:https://doi.org/10.17188/1308118. https://www.osti.gov/servlets/purl/1308118. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1308118,
title = {Materials Data on Hf3Al2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (2.80 Å) and four longer (2.91 Å) Hf–Al bond lengths. In the second Hf site, Hf is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Hf–Al bond lengths are 3.03 Å. In the third Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (2.75 Å) and four longer (2.91 Å) Hf–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Hf and two equivalent Al atoms. There are one shorter (2.60 Å) and one longer (2.89 Å) Al–Al bond lengths.},
doi = {10.17188/1308118},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}