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Title: Materials Data on MnFeO4 by Materials Project

Abstract

FeMnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mn is bonded to six O atoms to form MnO6 octahedra that share corners with eight equivalent FeO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Mn–O bond distances ranging from 1.87–1.94 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Fe–O bond distances ranging from 2.00–2.06 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Mn and one Fe atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Mn and two equivalent Fe atoms.

Authors:
Publication Date:
Other Number(s):
mp-761315
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; MnFeO4; Fe-Mn-O
OSTI Identifier:
1291811
DOI:
https://doi.org/10.17188/1291811

Citation Formats

The Materials Project. Materials Data on MnFeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291811.
The Materials Project. Materials Data on MnFeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1291811
The Materials Project. 2020. "Materials Data on MnFeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1291811. https://www.osti.gov/servlets/purl/1291811. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1291811,
title = {Materials Data on MnFeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {FeMnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mn is bonded to six O atoms to form MnO6 octahedra that share corners with eight equivalent FeO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Mn–O bond distances ranging from 1.87–1.94 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Fe–O bond distances ranging from 2.00–2.06 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Mn and one Fe atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Mn and two equivalent Fe atoms.},
doi = {10.17188/1291811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}