U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GaNiO3 by Materials Project
Abstract
NiGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent GaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.84 Å. Ga3+ is bonded to twelve equivalent O2- atoms to form GaO12 cuboctahedra that share corners with twelve equivalent GaO12 cuboctahedra, faces with six equivalent GaO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Ga–O bond lengths are 2.60 Å. O2- is bonded in a distorted linear geometry to two equivalent Ni3+ and four equivalent Ga3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1183983
- 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-Ni-O; GaNiO3; crystal structure
- OSTI Identifier:
- 1738954
- DOI:
- https://doi.org/10.17188/1738954
Citation Formats
Materials Data on GaNiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738954.
Materials Data on GaNiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1738954
2020.
"Materials Data on GaNiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1738954. https://www.osti.gov/servlets/purl/1738954. Pub date:Tue May 05 04:00:00 UTC 2020
@article{osti_1738954,
title = {Materials Data on GaNiO3 by Materials Project},
abstractNote = {NiGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent GaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.84 Å. Ga3+ is bonded to twelve equivalent O2- atoms to form GaO12 cuboctahedra that share corners with twelve equivalent GaO12 cuboctahedra, faces with six equivalent GaO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Ga–O bond lengths are 2.60 Å. O2- is bonded in a distorted linear geometry to two equivalent Ni3+ and four equivalent Ga3+ atoms.},
doi = {10.17188/1738954},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}