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Title: Materials Data on ZnFeO3 by Materials Project

Abstract

FeZnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe is bonded to six O atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of Fe–O bond distances ranging from 1.94–2.03 Å. Zn is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are three shorter (2.06 Å) and one longer (2.11 Å) Zn–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Fe and two equivalent Zn atoms to form distorted corner-sharing OZn2Fe2 tetrahedra. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Fe and one Zn atom.

Publication Date:
Other Number(s):
mvc-14155
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ZnFeO3; Fe-O-Zn
OSTI Identifier:
1319053
DOI:
https://doi.org/10.17188/1319053

Citation Formats

The Materials Project. Materials Data on ZnFeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319053.
The Materials Project. Materials Data on ZnFeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1319053
The Materials Project. 2020. "Materials Data on ZnFeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1319053. https://www.osti.gov/servlets/purl/1319053. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1319053,
title = {Materials Data on ZnFeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {FeZnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe is bonded to six O atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of Fe–O bond distances ranging from 1.94–2.03 Å. Zn is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are three shorter (2.06 Å) and one longer (2.11 Å) Zn–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Fe and two equivalent Zn atoms to form distorted corner-sharing OZn2Fe2 tetrahedra. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Fe and one Zn atom.},
doi = {10.17188/1319053},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}