U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y(FeO2)2 by Materials Project
Abstract
YFe2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to four O2- atoms to form YO4 tetrahedra that share corners with twelve FeO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are one shorter (2.11 Å) and three longer (2.16 Å) Y–O bond lengths. There are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six FeO6 octahedra. All Fe–O bond lengths are 2.14 Å. In the second Fe+2.50+ site, Fe+2.50+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six equivalent FeO6 octahedra. All Fe–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three Fe+2.50+ atoms to form a mixture of distorted corner and edge-sharing OYFe3 trigonal pyramids. In the second O2- site, O2- is bonded to one Y3+ and three equivalent Fe+2.50+ atoms to form a mixture of distorted corner and edge-sharing OYFe3 trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-11640
- 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; Y(FeO2)2; Fe-O-Y
- OSTI Identifier:
- 1318279
- DOI:
- https://doi.org/10.17188/1318279
Citation Formats
The Materials Project. Materials Data on Y(FeO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318279.
The Materials Project. Materials Data on Y(FeO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1318279
The Materials Project. 2020.
"Materials Data on Y(FeO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1318279. https://www.osti.gov/servlets/purl/1318279. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1318279,
title = {Materials Data on Y(FeO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {YFe2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to four O2- atoms to form YO4 tetrahedra that share corners with twelve FeO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are one shorter (2.11 Å) and three longer (2.16 Å) Y–O bond lengths. There are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six FeO6 octahedra. All Fe–O bond lengths are 2.14 Å. In the second Fe+2.50+ site, Fe+2.50+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six equivalent FeO6 octahedra. All Fe–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three Fe+2.50+ atoms to form a mixture of distorted corner and edge-sharing OYFe3 trigonal pyramids. In the second O2- site, O2- is bonded to one Y3+ and three equivalent Fe+2.50+ atoms to form a mixture of distorted corner and edge-sharing OYFe3 trigonal pyramids.},
doi = {10.17188/1318279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}