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Title: Materials Data on CeN(ClO)4 by Materials Project

Abstract

Ce(OCl2)2NO2 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two nitrous acid molecules and two Ce(OCl2)2 ribbons oriented in the (1, 0, 0) direction. In each Ce(OCl2)2 ribbon, Ce is bonded in a 2-coordinate geometry to two equivalent O and four Cl atoms. Both Ce–O bond lengths are 2.12 Å. There are two shorter (2.62 Å) and two longer (3.24 Å) Ce–Cl bond lengths. O is bonded in a bent 150 degrees geometry to one Ce and one Cl atom. The O–Cl bond length is 1.64 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Ce and one O atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Ce atom.

Authors:
Publication Date:
Other Number(s):
mp-1213942
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; CeN(ClO)4; Ce-Cl-N-O
OSTI Identifier:
1732351
DOI:
https://doi.org/10.17188/1732351

Citation Formats

The Materials Project. Materials Data on CeN(ClO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732351.
The Materials Project. Materials Data on CeN(ClO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1732351
The Materials Project. 2020. "Materials Data on CeN(ClO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1732351. https://www.osti.gov/servlets/purl/1732351. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1732351,
title = {Materials Data on CeN(ClO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(OCl2)2NO2 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two nitrous acid molecules and two Ce(OCl2)2 ribbons oriented in the (1, 0, 0) direction. In each Ce(OCl2)2 ribbon, Ce is bonded in a 2-coordinate geometry to two equivalent O and four Cl atoms. Both Ce–O bond lengths are 2.12 Å. There are two shorter (2.62 Å) and two longer (3.24 Å) Ce–Cl bond lengths. O is bonded in a bent 150 degrees geometry to one Ce and one Cl atom. The O–Cl bond length is 1.64 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Ce and one O atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Ce atom.},
doi = {10.17188/1732351},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}