U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg(FeO2)2 by Materials Project
Abstract
MgFe2O4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form distorted MgO6 pentagonal pyramids that share corners with six FeO6 octahedra, edges with six FeO6 octahedra, and edges with two equivalent MgO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 3–17°. There are a spread of Mg–O bond distances ranging from 2.09–2.26 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form distorted MgO6 pentagonal pyramids that share corners with twelve FeO6 octahedra, edges with two equivalent MgO6 pentagonal pyramids, and faces with two FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of Mg–O bond distances ranging from 2.14–2.23 Å. There are six inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five MgO6 pentagonal pyramids, edges with six FeO6 octahedra, an edgeedge with one MgO6 pentagonal pyramid, and a faceface with one MgO6 pentagonal pyramid. There are a spread of Fe–O bond distances ranging from 2.00–2.17 Å. In the second Fe3+more »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-12557
- 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; Mg(FeO2)2; Fe-Mg-O
- OSTI Identifier:
- 1318562
- DOI:
- https://doi.org/10.17188/1318562
Citation Formats
The Materials Project. Materials Data on Mg(FeO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318562.
The Materials Project. Materials Data on Mg(FeO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1318562
The Materials Project. 2020.
"Materials Data on Mg(FeO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1318562. https://www.osti.gov/servlets/purl/1318562. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1318562,
title = {Materials Data on Mg(FeO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgFe2O4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form distorted MgO6 pentagonal pyramids that share corners with six FeO6 octahedra, edges with six FeO6 octahedra, and edges with two equivalent MgO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 3–17°. There are a spread of Mg–O bond distances ranging from 2.09–2.26 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form distorted MgO6 pentagonal pyramids that share corners with twelve FeO6 octahedra, edges with two equivalent MgO6 pentagonal pyramids, and faces with two FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of Mg–O bond distances ranging from 2.14–2.23 Å. There are six inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five MgO6 pentagonal pyramids, edges with six FeO6 octahedra, an edgeedge with one MgO6 pentagonal pyramid, and a faceface with one MgO6 pentagonal pyramid. There are a spread of Fe–O bond distances ranging from 2.00–2.17 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five MgO6 pentagonal pyramids, edges with six FeO6 octahedra, an edgeedge with one MgO6 pentagonal pyramid, and a faceface with one MgO6 pentagonal pyramid. There are a spread of Fe–O bond distances ranging from 2.00–2.18 Å. In the third Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent MgO6 pentagonal pyramids, edges with six FeO6 octahedra, and edges with two equivalent MgO6 pentagonal pyramids. There are a spread of Fe–O bond distances ranging from 1.99–2.08 Å. In the fourth Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent MgO6 pentagonal pyramids, edges with six FeO6 octahedra, and edges with two equivalent MgO6 pentagonal pyramids. There are a spread of Fe–O bond distances ranging from 1.99–2.08 Å. In the fifth Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent MgO6 pentagonal pyramids, edges with six FeO6 octahedra, and edges with two equivalent MgO6 pentagonal pyramids. There are a spread of Fe–O bond distances ranging from 2.00–2.08 Å. In the sixth Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent MgO6 pentagonal pyramids, edges with six FeO6 octahedra, and edges with two equivalent MgO6 pentagonal pyramids. There are a spread of Fe–O bond distances ranging from 2.00–2.08 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Fe3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Fe3+ atoms. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Fe3+ atoms. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Fe3+ atoms. In the fifth O2- site, O2- is bonded to two Mg2+ and three Fe3+ atoms to form a mixture of edge and corner-sharing OMg2Fe3 trigonal bipyramids. In the sixth O2- site, O2- is bonded to two Mg2+ and three Fe3+ atoms to form a mixture of edge and corner-sharing OMg2Fe3 trigonal bipyramids. In the seventh O2- site, O2- is bonded to two Mg2+ and three Fe3+ atoms to form a mixture of edge and corner-sharing OMg2Fe3 trigonal bipyramids. In the eighth O2- site, O2- is bonded to two Mg2+ and three Fe3+ atoms to form a mixture of edge and corner-sharing OMg2Fe3 trigonal bipyramids.},
doi = {10.17188/1318562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}
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