U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaRhO3 by Materials Project
Abstract
CaRhO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent RhO6 octahedra. All Ca–O bond lengths are 2.80 Å. Rh4+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent RhO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Rh4+ atoms to form a mixture of distorted corner, edge, and face-sharing OCa4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
- Publication Date:
- Other Number(s):
- mp-1016833
- 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; Ca-O-Rh; CaRhO3; crystal structure
- OSTI Identifier:
- 1349469
- DOI:
- https://doi.org/10.17188/1349469
Citation Formats
Materials Data on CaRhO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1349469.
Materials Data on CaRhO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349469
2020.
"Materials Data on CaRhO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349469. https://www.osti.gov/servlets/purl/1349469. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1349469,
title = {Materials Data on CaRhO3 by Materials Project},
abstractNote = {CaRhO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent RhO6 octahedra. All Ca–O bond lengths are 2.80 Å. Rh4+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent RhO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Rh4+ atoms to form a mixture of distorted corner, edge, and face-sharing OCa4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1349469},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}