U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GaNi3As by Materials Project
Abstract
Ni3GaAs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, three equivalent Ga, and three equivalent As atoms. There are a spread of Ni–Ni bond distances ranging from 2.39–2.60 Å. All Ni–Ga bond lengths are 2.60 Å. All Ni–As bond lengths are 2.58 Å. In the second Ni site, Ni is bonded to six equivalent Ni, three equivalent Ga, and two equivalent As atoms to form a mixture of distorted corner and face-sharing NiGa3Ni6As2 trigonal bipyramids. All Ni–Ga bond lengths are 2.28 Å. Both Ni–As bond lengths are 2.44 Å. Ga is bonded in a 3-coordinate geometry to nine Ni atoms. As is bonded in a 8-coordinate geometry to eight Ni atoms.
- Publication Date:
- Other Number(s):
- mp-1224813
- 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; As-Ga-Ni; crystal structure; GaNi3As
- OSTI Identifier:
- 1711600
- DOI:
- https://doi.org/10.17188/1711600
Citation Formats
Materials Data on GaNi3As by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711600.
Materials Data on GaNi3As by Materials Project. United States. doi:https://doi.org/10.17188/1711600
2019.
"Materials Data on GaNi3As by Materials Project". United States. doi:https://doi.org/10.17188/1711600. https://www.osti.gov/servlets/purl/1711600. Pub date:Sat Jan 12 19:00:00 EST 2019
@article{osti_1711600,
title = {Materials Data on GaNi3As by Materials Project},
abstractNote = {Ni3GaAs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, three equivalent Ga, and three equivalent As atoms. There are a spread of Ni–Ni bond distances ranging from 2.39–2.60 Å. All Ni–Ga bond lengths are 2.60 Å. All Ni–As bond lengths are 2.58 Å. In the second Ni site, Ni is bonded to six equivalent Ni, three equivalent Ga, and two equivalent As atoms to form a mixture of distorted corner and face-sharing NiGa3Ni6As2 trigonal bipyramids. All Ni–Ga bond lengths are 2.28 Å. Both Ni–As bond lengths are 2.44 Å. Ga is bonded in a 3-coordinate geometry to nine Ni atoms. As is bonded in a 8-coordinate geometry to eight Ni atoms.},
doi = {10.17188/1711600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}