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Title: Materials Data on MnFe2O3 by Materials Project

Abstract

Mn(Fe)2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent FeO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.14 Å) and four longer (2.28 Å) Mn–O bond lengths. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent FeO6 octahedra, edges with five equivalent MnO6 octahedra, and edges with seven equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Fe–O bond distances ranging from 2.14–2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mn2+ and four equivalent Fe2+ atoms to form a mixture of corner and edge-sharing OMn2Fe4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two equivalent Mn2+ and four equivalent Fe2+ atoms to form a mixture of corner and edge-sharing OMn2Fe4more » octahedra. The corner-sharing octahedra tilt angles range from 0–2°.« less

Authors:
Publication Date:
Other Number(s):
mp-1221773
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; MnFe2O3; Fe-Mn-O
OSTI Identifier:
1737986
DOI:
https://doi.org/10.17188/1737986

Citation Formats

The Materials Project. Materials Data on MnFe2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1737986.
The Materials Project. Materials Data on MnFe2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1737986
The Materials Project. 2020. "Materials Data on MnFe2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1737986. https://www.osti.gov/servlets/purl/1737986. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1737986,
title = {Materials Data on MnFe2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(Fe)2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent FeO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.14 Å) and four longer (2.28 Å) Mn–O bond lengths. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent FeO6 octahedra, edges with five equivalent MnO6 octahedra, and edges with seven equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Fe–O bond distances ranging from 2.14–2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mn2+ and four equivalent Fe2+ atoms to form a mixture of corner and edge-sharing OMn2Fe4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two equivalent Mn2+ and four equivalent Fe2+ atoms to form a mixture of corner and edge-sharing OMn2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.},
doi = {10.17188/1737986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}