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Title: Materials Data on NClO3 by Materials Project

Abstract

ClONO2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four chlorine nitrate molecules. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.20–1.54 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a bent 120 degrees geometry to one N and one Cl atom. The O–Cl bond length is 1.68 Å. In the third O site, O is bonded in a single-bond geometry to one N atom. Cl is bonded in a single-bond geometry to one O atom.

Authors:
Publication Date:
Other Number(s):
mp-754712
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; NClO3; Cl-N-O
OSTI Identifier:
1289529
DOI:
https://doi.org/10.17188/1289529

Citation Formats

The Materials Project. Materials Data on NClO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289529.
The Materials Project. Materials Data on NClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289529
The Materials Project. 2020. "Materials Data on NClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289529. https://www.osti.gov/servlets/purl/1289529. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1289529,
title = {Materials Data on NClO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ClONO2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four chlorine nitrate molecules. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.20–1.54 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a bent 120 degrees geometry to one N and one Cl atom. The O–Cl bond length is 1.68 Å. In the third O site, O is bonded in a single-bond geometry to one N atom. Cl is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1289529},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}