skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Fe2ClO3 by Materials Project

Abstract

Fe2O3Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent O atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.03 Å. In the second Fe site, Fe is bonded to four equivalent O and two equivalent Cl atoms to form distorted edge-sharing FeCl2O4 octahedra. All Fe–O bond lengths are 1.97 Å. Both Fe–Cl bond lengths are 2.51 Å. O is bonded in a trigonal non-coplanar geometry to three Fe atoms. Cl is bonded in a 3-coordinate geometry to three equivalent Fe atoms.

Publication Date:
Other Number(s):
mp-1103030
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; Fe2ClO3; Cl-Fe-O
OSTI Identifier:
1678681
DOI:
https://doi.org/10.17188/1678681

Citation Formats

The Materials Project. Materials Data on Fe2ClO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678681.
The Materials Project. Materials Data on Fe2ClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1678681
The Materials Project. 2020. "Materials Data on Fe2ClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1678681. https://www.osti.gov/servlets/purl/1678681. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1678681,
title = {Materials Data on Fe2ClO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2O3Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent O atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.03 Å. In the second Fe site, Fe is bonded to four equivalent O and two equivalent Cl atoms to form distorted edge-sharing FeCl2O4 octahedra. All Fe–O bond lengths are 1.97 Å. Both Fe–Cl bond lengths are 2.51 Å. O is bonded in a trigonal non-coplanar geometry to three Fe atoms. Cl is bonded in a 3-coordinate geometry to three equivalent Fe atoms.},
doi = {10.17188/1678681},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}