U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnCoO4 by Materials Project
Abstract
MnCoO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent CoO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Mn–O bond lengths are 1.91 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.84 Å) and four longer (1.87 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mn4+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn4+ and one Co4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-761556
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; MnCoO4; Co-Mn-O
- OSTI Identifier:
- 1292081
- DOI:
- https://doi.org/10.17188/1292081
Citation Formats
The Materials Project. Materials Data on MnCoO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292081.
The Materials Project. Materials Data on MnCoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1292081
The Materials Project. 2020.
"Materials Data on MnCoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1292081. https://www.osti.gov/servlets/purl/1292081. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1292081,
title = {Materials Data on MnCoO4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnCoO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent CoO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Mn–O bond lengths are 1.91 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.84 Å) and four longer (1.87 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mn4+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn4+ and one Co4+ atom.},
doi = {10.17188/1292081},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}