U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf2Ga3Ni by Materials Project
Abstract
Hf2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (3.01 Å) and two longer (3.04 Å) Hf–Ni bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.85–3.06 Å. In the second Hf site, Hf is bonded in a 11-coordinate geometry to three equivalent Ni and nine Ga atoms. There are two shorter (2.88 Å) and one longer (2.89 Å) Hf–Ni bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.83–3.30 Å. Ni is bonded in a 10-coordinate geometry to six Hf and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.37–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Ni, and three Ga atoms. There are two shorter (2.53 Å) and one longer (2.80 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, two equivalent Ni, and two Ga atoms. Themore »
- Publication Date:
- Other Number(s):
- mp-1223946
- 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; Ga-Hf-Ni; Hf2Ga3Ni; crystal structure
- OSTI Identifier:
- 1685460
- DOI:
- https://doi.org/10.17188/1685460
Citation Formats
Materials Data on Hf2Ga3Ni by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1685460.
Materials Data on Hf2Ga3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1685460
2019.
"Materials Data on Hf2Ga3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1685460. https://www.osti.gov/servlets/purl/1685460. Pub date:Sat Jan 12 23:00:00 EST 2019
@article{osti_1685460,
title = {Materials Data on Hf2Ga3Ni by Materials Project},
abstractNote = {Hf2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (3.01 Å) and two longer (3.04 Å) Hf–Ni bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.85–3.06 Å. In the second Hf site, Hf is bonded in a 11-coordinate geometry to three equivalent Ni and nine Ga atoms. There are two shorter (2.88 Å) and one longer (2.89 Å) Hf–Ni bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.83–3.30 Å. Ni is bonded in a 10-coordinate geometry to six Hf and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.37–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Ni, and three Ga atoms. There are two shorter (2.53 Å) and one longer (2.80 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.56 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Ni, and three Ga atoms.},
doi = {10.17188/1685460},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}