U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnC5O8 by Materials Project
Abstract
MnCO4(CO)4 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of thirty-two formaldehyde molecules and eight MnCO4 clusters. In each MnCO4 cluster, Mn2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.58–1.83 Å. C+2.80+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn2+ and one C+2.80+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom.
- Publication Date:
- Other Number(s):
- mp-1213563
- 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; C-Mn-O; MnC5O8; crystal structure
- OSTI Identifier:
- 1688284
- DOI:
- https://doi.org/10.17188/1688284
Citation Formats
Materials Data on MnC5O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688284.
Materials Data on MnC5O8 by Materials Project. United States. doi:https://doi.org/10.17188/1688284
2020.
"Materials Data on MnC5O8 by Materials Project". United States. doi:https://doi.org/10.17188/1688284. https://www.osti.gov/servlets/purl/1688284. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1688284,
title = {Materials Data on MnC5O8 by Materials Project},
abstractNote = {MnCO4(CO)4 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of thirty-two formaldehyde molecules and eight MnCO4 clusters. In each MnCO4 cluster, Mn2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.58–1.83 Å. C+2.80+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn2+ and one C+2.80+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom.},
doi = {10.17188/1688284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}