U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfAl2 by Materials Project
Abstract
HfAl2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve Al atoms. There are three shorter (3.23 Å) and one longer (3.25 Å) Hf–Hf bond lengths. There are a spread of Hf–Al bond distances ranging from 3.08–3.11 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Hf and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlHf6Al6 cuboctahedra. All Al–Al bond lengths are 2.68 Å. In the second Al site, Al is bonded to six equivalent Hf and six Al atoms to form a mixture of edge, face, and corner-sharing AlHf6Al6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.69 Å) Al–Al bond lengths.
- Publication Date:
- Other Number(s):
- mp-12657
- 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; HfAl2
- OSTI Identifier:
- 1182268
- DOI:
- https://doi.org/10.17188/1182268
Citation Formats
Materials Data on HfAl2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1182268.
Materials Data on HfAl2 by Materials Project. United States. doi:https://doi.org/10.17188/1182268
2020.
"Materials Data on HfAl2 by Materials Project". United States. doi:https://doi.org/10.17188/1182268. https://www.osti.gov/servlets/purl/1182268. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1182268,
title = {Materials Data on HfAl2 by Materials Project},
abstractNote = {HfAl2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve Al atoms. There are three shorter (3.23 Å) and one longer (3.25 Å) Hf–Hf bond lengths. There are a spread of Hf–Al bond distances ranging from 3.08–3.11 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Hf and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlHf6Al6 cuboctahedra. All Al–Al bond lengths are 2.68 Å. In the second Al site, Al is bonded to six equivalent Hf and six Al atoms to form a mixture of edge, face, and corner-sharing AlHf6Al6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.69 Å) Al–Al bond lengths.},
doi = {10.17188/1182268},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}