U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GaNi3C by Materials Project
Abstract
GaCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Ni–Ga bond lengths are 2.67 Å. Both Ni–C bond lengths are 1.89 Å. Ga is bonded to twelve equivalent Ni atoms to form GaNi12 cuboctahedra that share corners with twelve equivalent GaNi12 cuboctahedra, faces with six equivalent GaNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent GaNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1206991
- 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; C-Ga-Ni; GaNi3C; crystal structure
- OSTI Identifier:
- 1677271
- DOI:
- https://doi.org/10.17188/1677271
Citation Formats
Materials Data on GaNi3C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677271.
Materials Data on GaNi3C by Materials Project. United States. doi:https://doi.org/10.17188/1677271
2020.
"Materials Data on GaNi3C by Materials Project". United States. doi:https://doi.org/10.17188/1677271. https://www.osti.gov/servlets/purl/1677271. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677271,
title = {Materials Data on GaNi3C by Materials Project},
abstractNote = {GaCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Ni–Ga bond lengths are 2.67 Å. Both Ni–C bond lengths are 1.89 Å. Ga is bonded to twelve equivalent Ni atoms to form GaNi12 cuboctahedra that share corners with twelve equivalent GaNi12 cuboctahedra, faces with six equivalent GaNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent GaNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1677271},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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