U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2Ga12Ni by Materials Project
Abstract
Ce2NiGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.17–3.37 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.50 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Ce and three Ga atoms. There are one shorter (2.59 Å) and two longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.43 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–3.02 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms.
- Publication Date:
- Other Number(s):
- mp-567195
- 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; Ce-Ga-Ni; Ce2Ga12Ni; crystal structure
- OSTI Identifier:
- 1273002
- DOI:
- https://doi.org/10.17188/1273002
Citation Formats
Materials Data on Ce2Ga12Ni by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1273002.
Materials Data on Ce2Ga12Ni by Materials Project. United States. doi:https://doi.org/10.17188/1273002
2020.
"Materials Data on Ce2Ga12Ni by Materials Project". United States. doi:https://doi.org/10.17188/1273002. https://www.osti.gov/servlets/purl/1273002. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1273002,
title = {Materials Data on Ce2Ga12Ni by Materials Project},
abstractNote = {Ce2NiGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.17–3.37 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.50 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Ce and three Ga atoms. There are one shorter (2.59 Å) and two longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.43 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–3.02 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms.},
doi = {10.17188/1273002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}