U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlNi2 by Materials Project
Abstract
Ni2Al crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to three equivalent Ni and five equivalent Al atoms. All Ni–Ni bond lengths are 2.49 Å. There are a spread of Ni–Al bond distances ranging from 2.40–2.49 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent Al atoms. Both Ni–Ni bond lengths are 2.47 Å. All Ni–Al bond lengths are 2.78 Å. In the third Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Ni and six equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. Al is bonded in a distorted body-centered cubic geometry to eleven Ni atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025044
- 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; AlNi2; Al-Ni
- OSTI Identifier:
- 1355477
- DOI:
- https://doi.org/10.17188/1355477
Citation Formats
The Materials Project. Materials Data on AlNi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355477.
The Materials Project. Materials Data on AlNi2 by Materials Project. United States. doi:https://doi.org/10.17188/1355477
The Materials Project. 2020.
"Materials Data on AlNi2 by Materials Project". United States. doi:https://doi.org/10.17188/1355477. https://www.osti.gov/servlets/purl/1355477. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355477,
title = {Materials Data on AlNi2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni2Al crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to three equivalent Ni and five equivalent Al atoms. All Ni–Ni bond lengths are 2.49 Å. There are a spread of Ni–Al bond distances ranging from 2.40–2.49 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent Al atoms. Both Ni–Ni bond lengths are 2.47 Å. All Ni–Al bond lengths are 2.78 Å. In the third Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Ni and six equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. Al is bonded in a distorted body-centered cubic geometry to eleven Ni atoms.},
doi = {10.17188/1355477},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}