U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaMnO3 by Materials Project
Abstract
CaMnO3 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 MnO6 octahedra. All Ca–O bond lengths are 2.69 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Mn4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1017467
- 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; CaMnO3; crystal structure
- OSTI Identifier:
- 1349742
- DOI:
- https://doi.org/10.17188/1349742
Citation Formats
Materials Data on CaMnO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1349742.
Materials Data on CaMnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349742
2020.
"Materials Data on CaMnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349742. https://www.osti.gov/servlets/purl/1349742. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1349742,
title = {Materials Data on CaMnO3 by Materials Project},
abstractNote = {CaMnO3 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 MnO6 octahedra. All Ca–O bond lengths are 2.69 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Mn4+ atoms.},
doi = {10.17188/1349742},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}