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

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

Abstract

Ce(O2Cl)2ClO2 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two hypochlorous acid;hydrate molecules and one Ce(O2Cl)2 ribbon oriented in the (1, 0, 0) direction. In the Ce(O2Cl)2 ribbon, Ce is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ce–O bond distances ranging from 2.13–2.63 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ce and one Cl atom. The O–Cl bond length is 1.60 Å. In the second O site, O is bonded in a water-like geometry to two equivalent Ce atoms. Cl is bonded in a single-bond geometry to one O atom.

Authors:
Publication Date:
Other Number(s):
mp-1214155
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; Ce(ClO2)3; Ce-Cl-O
OSTI Identifier:
1678598
DOI:
https://doi.org/10.17188/1678598

Citation Formats

The Materials Project. Materials Data on Ce(ClO2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1678598.
The Materials Project. Materials Data on Ce(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1678598
The Materials Project. 2019. "Materials Data on Ce(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1678598. https://www.osti.gov/servlets/purl/1678598. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1678598,
title = {Materials Data on Ce(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(O2Cl)2ClO2 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two hypochlorous acid;hydrate molecules and one Ce(O2Cl)2 ribbon oriented in the (1, 0, 0) direction. In the Ce(O2Cl)2 ribbon, Ce is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ce–O bond distances ranging from 2.13–2.63 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ce and one Cl atom. The O–Cl bond length is 1.60 Å. In the second O site, O is bonded in a water-like geometry to two equivalent Ce atoms. Cl is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1678598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}