Materials Data on Mn5O8 by Materials Project
Abstract
Mn5O8 is Marcasite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mn+3.20+ sites. In the first Mn+3.20+ site, Mn+3.20+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.10–2.34 Å. In the second Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.00 Å. In the third Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There is four shorter (1.95 Å) and two longer (1.97 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.20+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to four Mn+3.20+ atoms. In the third O2- site, O2- is bonded to four Mn+3.20+ atoms to form a mixture of distorted corner and edge-sharing OMn4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18922
- 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; Mn5O8; Mn-O
- OSTI Identifier:
- 1193660
- DOI:
- https://doi.org/10.17188/1193660
Citation Formats
The Materials Project. Materials Data on Mn5O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193660.
The Materials Project. Materials Data on Mn5O8 by Materials Project. United States. doi:https://doi.org/10.17188/1193660
The Materials Project. 2020.
"Materials Data on Mn5O8 by Materials Project". United States. doi:https://doi.org/10.17188/1193660. https://www.osti.gov/servlets/purl/1193660. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1193660,
title = {Materials Data on Mn5O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn5O8 is Marcasite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mn+3.20+ sites. In the first Mn+3.20+ site, Mn+3.20+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.10–2.34 Å. In the second Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.00 Å. In the third Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There is four shorter (1.95 Å) and two longer (1.97 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.20+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to four Mn+3.20+ atoms. In the third O2- site, O2- is bonded to four Mn+3.20+ atoms to form a mixture of distorted corner and edge-sharing OMn4 tetrahedra.},
doi = {10.17188/1193660},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}