U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn3CrO8 by Materials Project
Abstract
CrMn3O8 is beta Vanadium nitride-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is three shorter (1.92 Å) and three longer (1.99 Å) Cr–O bond length. Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent CrO6 octahedra, an edgeedge with one CrO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Mn–O bond distances ranging from 1.92–1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr5+ and two equivalent Mn+3.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cr5+ and two equivalent Mn+3.67+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+3.67+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+3.67+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-773120
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Mn3CrO8; Cr-Mn-O
- OSTI Identifier:
- 1301601
- DOI:
- https://doi.org/10.17188/1301601
Citation Formats
The Materials Project. Materials Data on Mn3CrO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301601.
The Materials Project. Materials Data on Mn3CrO8 by Materials Project. United States. doi:https://doi.org/10.17188/1301601
The Materials Project. 2020.
"Materials Data on Mn3CrO8 by Materials Project". United States. doi:https://doi.org/10.17188/1301601. https://www.osti.gov/servlets/purl/1301601. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1301601,
title = {Materials Data on Mn3CrO8 by Materials Project},
author = {The Materials Project},
abstractNote = {CrMn3O8 is beta Vanadium nitride-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is three shorter (1.92 Å) and three longer (1.99 Å) Cr–O bond length. Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent CrO6 octahedra, an edgeedge with one CrO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Mn–O bond distances ranging from 1.92–1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr5+ and two equivalent Mn+3.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cr5+ and two equivalent Mn+3.67+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+3.67+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+3.67+ atoms.},
doi = {10.17188/1301601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}