U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2Fe3O8 by Materials Project
Abstract
Fe3Zn2O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are four shorter (1.99 Å) and two longer (2.02 Å) Fe–O bond lengths. In the second Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.93–2.03 Å. Zn is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.27 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Fe and one Zn atom. In the second O site, O is bonded in a rectangular see-saw-like geometry to three Fe and one Zn atom. In the third O site, O is bonded to two Fe and two equivalent Zn atoms to form a mixture of distorted edge and corner-sharing OZn2Fe2 tetrahedra.
- Publication Date:
- Other Number(s):
- mvc-14216
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Fe-O-Zn; Zn2Fe3O8; crystal structure
- OSTI Identifier:
- 1319072
- DOI:
- https://doi.org/10.17188/1319072
Citation Formats
Materials Data on Zn2Fe3O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319072.
Materials Data on Zn2Fe3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1319072
2020.
"Materials Data on Zn2Fe3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1319072. https://www.osti.gov/servlets/purl/1319072. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1319072,
title = {Materials Data on Zn2Fe3O8 by Materials Project},
abstractNote = {Fe3Zn2O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are four shorter (1.99 Å) and two longer (2.02 Å) Fe–O bond lengths. In the second Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.93–2.03 Å. Zn is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.27 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Fe and one Zn atom. In the second O site, O is bonded in a rectangular see-saw-like geometry to three Fe and one Zn atom. In the third O site, O is bonded to two Fe and two equivalent Zn atoms to form a mixture of distorted edge and corner-sharing OZn2Fe2 tetrahedra.},
doi = {10.17188/1319072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}