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Title: Materials Data on H8CN2(ClO5)2 by Materials Project

Abstract

CH8(NO)2(ClO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four [methanediylbis(oxy)]diammonium molecules and eight ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-560730
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; H8CN2(ClO5)2; C-Cl-H-N-O
OSTI Identifier:
1183998
DOI:
10.17188/1183998

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on H8CN2(ClO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1183998.
Persson, Kristin, & Project, Materials. Materials Data on H8CN2(ClO5)2 by Materials Project. United States. doi:10.17188/1183998.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on H8CN2(ClO5)2 by Materials Project". United States. doi:10.17188/1183998. https://www.osti.gov/servlets/purl/1183998. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1183998,
title = {Materials Data on H8CN2(ClO5)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CH8(NO)2(ClO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four [methanediylbis(oxy)]diammonium molecules and eight ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.},
doi = {10.17188/1183998},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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