U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2Fe2O5 by Materials Project
Abstract
Fe2Zn2O5 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.82–1.98 Å. In the second Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.83–1.98 Å. In the third Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.83–1.98 Å. In the fourth Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.83–1.98 Å. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atomsmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-4000
- 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; Zn2Fe2O5; Fe-O-Zn
- OSTI Identifier:
- 1320827
- DOI:
- https://doi.org/10.17188/1320827
Citation Formats
The Materials Project. Materials Data on Zn2Fe2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320827.
The Materials Project. Materials Data on Zn2Fe2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1320827
The Materials Project. 2020.
"Materials Data on Zn2Fe2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1320827. https://www.osti.gov/servlets/purl/1320827. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1320827,
title = {Materials Data on Zn2Fe2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2Zn2O5 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.82–1.98 Å. In the second Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.83–1.98 Å. In the third Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.83–1.98 Å. In the fourth Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra and corners with six ZnO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.83–1.98 Å. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with six FeO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–2.12 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with six FeO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–2.11 Å. In the third Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with six FeO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–2.11 Å. In the fourth Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with six FeO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–2.11 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Fe3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Fe3+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Fe3+ and two equivalent Zn2+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Fe3+ and two equivalent Zn2+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Fe3+ and two Zn2+ atoms to form a mixture of corner and edge-sharing OZn2Fe2 tetrahedra. In the sixth O2- site, O2- is bonded to two equivalent Fe3+ and two Zn2+ atoms to form a mixture of corner and edge-sharing OZn2Fe2 tetrahedra. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to one Fe3+ and two equivalent Zn2+ atoms. In the eighth O2- site, O2- is bonded to two equivalent Fe3+ and two Zn2+ atoms to form a mixture of corner and edge-sharing OZn2Fe2 tetrahedra. In the ninth O2- site, O2- is bonded in a linear geometry to two Fe3+ atoms. In the tenth O2- site, O2- is bonded to two equivalent Fe3+ and two Zn2+ atoms to form a mixture of corner and edge-sharing OZn2Fe2 tetrahedra.},
doi = {10.17188/1320827},
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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