U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaMnO2 by Materials Project
Abstract
CaMnO2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ca–O bond lengths are 2.37 Å. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Mn–O bond lengths are 2.30 Å. O2- is bonded to three equivalent Ca2+ and three equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OCa3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1003486
- 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-Mn-O; CaMnO2; crystal structure
- OSTI Identifier:
- 1284157
- DOI:
- https://doi.org/10.17188/1284157
Citation Formats
Materials Data on CaMnO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284157.
Materials Data on CaMnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1284157
2020.
"Materials Data on CaMnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1284157. https://www.osti.gov/servlets/purl/1284157. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1284157,
title = {Materials Data on CaMnO2 by Materials Project},
abstractNote = {CaMnO2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ca–O bond lengths are 2.37 Å. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Mn–O bond lengths are 2.30 Å. O2- is bonded to three equivalent Ca2+ and three equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OCa3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1284157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 04:00:00 UTC 2020},
month = {Wed Jul 22 04:00:00 UTC 2020}
}