U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y(FeO2)2 by Materials Project
Abstract
YFe2O4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.39–2.44 Å. There are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (2.02 Å) Fe–O bond length. In the second Fe+2.50+ site, Fe+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (2.03 Å) Fe–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Fe+2.50+ atoms to form a mixture of distorted edge and corner-sharing OY2Fe2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two Fe+2.50+ atoms to form a mixture of distorted edge and corner-sharing OY2Fe2 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-4611
- 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:
- 1321086
- DOI:
- https://doi.org/10.17188/1321086
Citation Formats
The Materials Project. Materials Data on Y(FeO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321086.
The Materials Project. Materials Data on Y(FeO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1321086
The Materials Project. 2020.
"Materials Data on Y(FeO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1321086. https://www.osti.gov/servlets/purl/1321086. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1321086,
title = {Materials Data on Y(FeO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {YFe2O4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.39–2.44 Å. There are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (2.02 Å) Fe–O bond length. In the second Fe+2.50+ site, Fe+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (2.03 Å) Fe–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Fe+2.50+ atoms to form a mixture of distorted edge and corner-sharing OY2Fe2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two Fe+2.50+ atoms to form a mixture of distorted edge and corner-sharing OY2Fe2 tetrahedra.},
doi = {10.17188/1321086},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}