U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnSO5 by Materials Project
Abstract
MnOSO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with four equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Mn–O bond distances ranging from 1.84–2.09 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 36–49°. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn4+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn4+ and one S6+ atom.
- Publication Date:
- Other Number(s):
- mp-1104701
- 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; Mn-O-S; MnSO5; crystal structure
- OSTI Identifier:
- 1711682
- DOI:
- https://doi.org/10.17188/1711682
Citation Formats
Materials Data on MnSO5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711682.
Materials Data on MnSO5 by Materials Project. United States. doi:https://doi.org/10.17188/1711682
2019.
"Materials Data on MnSO5 by Materials Project". United States. doi:https://doi.org/10.17188/1711682. https://www.osti.gov/servlets/purl/1711682. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1711682,
title = {Materials Data on MnSO5 by Materials Project},
abstractNote = {MnOSO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with four equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Mn–O bond distances ranging from 1.84–2.09 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 36–49°. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn4+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn4+ and one S6+ atom.},
doi = {10.17188/1711682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}