U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnReO4 by Materials Project
Abstract
ReMnO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Re–O bond distances ranging from 1.83–2.07 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Mn–O bond distances ranging from 2.16–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent Mn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-31906
- 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; crystal structure; Mn-O-Re; MnReO4
- OSTI Identifier:
- 1205968
- DOI:
- https://doi.org/10.17188/1205968
Citation Formats
Materials Data on MnReO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205968.
Materials Data on MnReO4 by Materials Project. United States. doi:https://doi.org/10.17188/1205968
2020.
"Materials Data on MnReO4 by Materials Project". United States. doi:https://doi.org/10.17188/1205968. https://www.osti.gov/servlets/purl/1205968. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1205968,
title = {Materials Data on MnReO4 by Materials Project},
abstractNote = {ReMnO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Re–O bond distances ranging from 1.83–2.07 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Mn–O bond distances ranging from 2.16–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1205968},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}