U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgMn2O3 by Materials Project
Abstract
MgMn2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Mg–O bond lengths are 2.16 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with three equivalent MnO6 octahedra, edges with three equivalent MgO6 octahedra, and edges with nine equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (2.24 Å) and three longer (2.25 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and three equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OMg3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to six equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1221950
- 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; Mg-Mn-O; MgMn2O3; crystal structure
- OSTI Identifier:
- 1738955
- DOI:
- https://doi.org/10.17188/1738955
Citation Formats
Materials Data on MgMn2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738955.
Materials Data on MgMn2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1738955
2020.
"Materials Data on MgMn2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1738955. https://www.osti.gov/servlets/purl/1738955. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1738955,
title = {Materials Data on MgMn2O3 by Materials Project},
abstractNote = {MgMn2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Mg–O bond lengths are 2.16 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with three equivalent MnO6 octahedra, edges with three equivalent MgO6 octahedra, and edges with nine equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (2.24 Å) and three longer (2.25 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and three equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OMg3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to six equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1738955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}