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Title: Materials Data on Fe(ClO2)3 by Materials Project

Abstract

(Fe(O3Cl)2)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two hydrochloric acid molecules and two Fe(O3Cl)2 ribbons oriented in the (0, 1, 0) direction. In each Fe(O3Cl)2 ribbon, Fe is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All Fe–O bond lengths are 2.19 Å. Both Fe–Cl bond lengths are 2.28 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Fe and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. Cl is bonded in a single-bond geometry to one Fe atom.

Publication Date:
Other Number(s):
mp-1079439
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; Fe(ClO2)3; Cl-Fe-O
OSTI Identifier:
1662744
DOI:
https://doi.org/10.17188/1662744

Citation Formats

The Materials Project. Materials Data on Fe(ClO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662744.
The Materials Project. Materials Data on Fe(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1662744
The Materials Project. 2020. "Materials Data on Fe(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1662744. https://www.osti.gov/servlets/purl/1662744. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1662744,
title = {Materials Data on Fe(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(Fe(O3Cl)2)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two hydrochloric acid molecules and two Fe(O3Cl)2 ribbons oriented in the (0, 1, 0) direction. In each Fe(O3Cl)2 ribbon, Fe is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All Fe–O bond lengths are 2.19 Å. Both Fe–Cl bond lengths are 2.28 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Fe and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. Cl is bonded in a single-bond geometry to one Fe atom.},
doi = {10.17188/1662744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}