U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnSeO4 by Materials Project
Abstract
MnSeO4 crystallizes in the orthorhombic Ama2 space group. The structure is two-dimensional and consists of two MnSeO4 sheets oriented in the (0, 1, 0) direction. Mn2+ is bonded to six O2- atoms to form distorted corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Mn–O bond distances ranging from 1.75–2.25 Å. Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.77 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn2+ and one Se6+ 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 distorted trigonal planar geometry to two equivalent Mn2+ and one Se6+ atom.
- Publication Date:
- Other Number(s):
- mp-1101913
- 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-Se; MnSeO4; crystal structure
- OSTI Identifier:
- 1680357
- DOI:
- https://doi.org/10.17188/1680357
Citation Formats
Materials Data on MnSeO4 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1680357.
Materials Data on MnSeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1680357
2018.
"Materials Data on MnSeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1680357. https://www.osti.gov/servlets/purl/1680357. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1680357,
title = {Materials Data on MnSeO4 by Materials Project},
abstractNote = {MnSeO4 crystallizes in the orthorhombic Ama2 space group. The structure is two-dimensional and consists of two MnSeO4 sheets oriented in the (0, 1, 0) direction. Mn2+ is bonded to six O2- atoms to form distorted corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Mn–O bond distances ranging from 1.75–2.25 Å. Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.77 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn2+ and one Se6+ 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 distorted trigonal planar geometry to two equivalent Mn2+ and one Se6+ atom.},
doi = {10.17188/1680357},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}