U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2Co2O5 by Materials Project
Abstract
Mn2Co2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Mn–O bond lengths are 2.27 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.58 Å. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 square pyramids. There is four shorter (1.86 Å) and one longer (1.90 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn2+ and two equivalent Co3+ atoms. In the second O2- site, O2- is bonded to four equivalent Mn2+ and two equivalent Co3+ atoms to form a mixture of distorted edge and corner-sharing OMn4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-974861
- 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; Co-Mn-O; Mn2Co2O5; crystal structure
- OSTI Identifier:
- 1314661
- DOI:
- https://doi.org/10.17188/1314661
Citation Formats
Materials Data on Mn2Co2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314661.
Materials Data on Mn2Co2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1314661
2020.
"Materials Data on Mn2Co2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1314661. https://www.osti.gov/servlets/purl/1314661. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1314661,
title = {Materials Data on Mn2Co2O5 by Materials Project},
abstractNote = {Mn2Co2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Mn–O bond lengths are 2.27 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.58 Å. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 square pyramids. There is four shorter (1.86 Å) and one longer (1.90 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn2+ and two equivalent Co3+ atoms. In the second O2- site, O2- is bonded to four equivalent Mn2+ and two equivalent Co3+ atoms to form a mixture of distorted edge and corner-sharing OMn4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1314661},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}