skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mg(FeO2)2 by Materials Project

Abstract

MgFe2O4 is Spinel-like structured and crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent MgO6 octahedra, and edges with four equivalent FeO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.07–2.09 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent FeO6 octahedra, and edges with four equivalent MgO6 octahedra. There is two shorter (1.97 Å) and four longer (1.98 Å) Fe–O bond length. In the second Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with six equivalent MgO6 octahedra and corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There is two shorter (1.91 Å) and two longer (1.94 Å) Fe–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two Fe3+ atoms. In the secondmore » O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Fe3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-641896
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg(FeO2)2; Fe-Mg-O
OSTI Identifier:
1280068
DOI:
10.17188/1280068

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mg(FeO2)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1280068.
Persson, Kristin, & Project, Materials. Materials Data on Mg(FeO2)2 by Materials Project. United States. doi:10.17188/1280068.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Mg(FeO2)2 by Materials Project". United States. doi:10.17188/1280068. https://www.osti.gov/servlets/purl/1280068. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1280068,
title = {Materials Data on Mg(FeO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MgFe2O4 is Spinel-like structured and crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent MgO6 octahedra, and edges with four equivalent FeO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.07–2.09 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent FeO6 octahedra, and edges with four equivalent MgO6 octahedra. There is two shorter (1.97 Å) and four longer (1.98 Å) Fe–O bond length. In the second Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with six equivalent MgO6 octahedra and corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There is two shorter (1.91 Å) and two longer (1.94 Å) Fe–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two Fe3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Fe3+ atoms.},
doi = {10.17188/1280068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

Dataset:

Save / Share: