U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeGaNi by Materials Project
Abstract
CeNiGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Ni and six equivalent Ga atoms. There are four shorter (2.87 Å) and one longer (2.90 Å) Ce–Ni bond lengths. There are two shorter (3.09 Å) and four longer (3.22 Å) Ce–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to three equivalent Ce and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.69 Å. Ga is bonded to six equivalent Ce, four Ni, and two equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing GaCe6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.84 Å.
- Publication Date:
- Other Number(s):
- mp-31492
- 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; CeGaNi; crystal structure
- OSTI Identifier:
- 1205704
- DOI:
- https://doi.org/10.17188/1205704
Citation Formats
Materials Data on CeGaNi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205704.
Materials Data on CeGaNi by Materials Project. United States. doi:https://doi.org/10.17188/1205704
2020.
"Materials Data on CeGaNi by Materials Project". United States. doi:https://doi.org/10.17188/1205704. https://www.osti.gov/servlets/purl/1205704. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205704,
title = {Materials Data on CeGaNi by Materials Project},
abstractNote = {CeNiGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Ni and six equivalent Ga atoms. There are four shorter (2.87 Å) and one longer (2.90 Å) Ce–Ni bond lengths. There are two shorter (3.09 Å) and four longer (3.22 Å) Ce–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to three equivalent Ce and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.69 Å. Ga is bonded to six equivalent Ce, four Ni, and two equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing GaCe6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.84 Å.},
doi = {10.17188/1205704},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}