U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3MnZnO6 by Materials Project
Abstract
Ca3ZnMnO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.66 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share faces with two equivalent ZnO6 pentagonal pyramids. All Mn–O bond lengths are 1.94 Å. Zn2+ is bonded to six equivalent O2- atoms to form distorted ZnO6 pentagonal pyramids that share faces with two equivalent MnO6 octahedra. All Zn–O bond lengths are 2.18 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Ca2+, one Mn4+, and one Zn2+ atom.
- Publication Date:
- Other Number(s):
- mp-19224
- 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-Zn; Ca3MnZnO6; crystal structure
- OSTI Identifier:
- 1194085
- DOI:
- https://doi.org/10.17188/1194085
Citation Formats
Materials Data on Ca3MnZnO6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1194085.
Materials Data on Ca3MnZnO6 by Materials Project. United States. doi:https://doi.org/10.17188/1194085
2019.
"Materials Data on Ca3MnZnO6 by Materials Project". United States. doi:https://doi.org/10.17188/1194085. https://www.osti.gov/servlets/purl/1194085. Pub date:Fri Nov 15 23:00:00 EST 2019
@article{osti_1194085,
title = {Materials Data on Ca3MnZnO6 by Materials Project},
abstractNote = {Ca3ZnMnO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.66 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share faces with two equivalent ZnO6 pentagonal pyramids. All Mn–O bond lengths are 1.94 Å. Zn2+ is bonded to six equivalent O2- atoms to form distorted ZnO6 pentagonal pyramids that share faces with two equivalent MnO6 octahedra. All Zn–O bond lengths are 2.18 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Ca2+, one Mn4+, and one Zn2+ atom.},
doi = {10.17188/1194085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {11}
}
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