U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaPtO3 by Materials Project
Abstract
CaPtO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are two shorter (2.29 Å) and six longer (2.52 Å) Ca–O bond lengths. Pt4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two shorter (2.04 Å) and four longer (2.08 Å) Pt–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Pt4+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Pt4+ atoms to form distorted corner-sharing OCa2Pt2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-4784
- 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-Pt; CaPtO3; crystal structure
- OSTI Identifier:
- 1208397
- DOI:
- https://doi.org/10.17188/1208397
Citation Formats
Materials Data on CaPtO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208397.
Materials Data on CaPtO3 by Materials Project. United States. doi:https://doi.org/10.17188/1208397
2020.
"Materials Data on CaPtO3 by Materials Project". United States. doi:https://doi.org/10.17188/1208397. https://www.osti.gov/servlets/purl/1208397. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1208397,
title = {Materials Data on CaPtO3 by Materials Project},
abstractNote = {CaPtO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are two shorter (2.29 Å) and six longer (2.52 Å) Ca–O bond lengths. Pt4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two shorter (2.04 Å) and four longer (2.08 Å) Pt–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Pt4+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Pt4+ atoms to form distorted corner-sharing OCa2Pt2 tetrahedra.},
doi = {10.17188/1208397},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}