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Title: Materials Data on H4NClO5 by Materials Project

Abstract

NH3OHClO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of eight hydroxyammonium molecules and eight ClO4 clusters. In each ClO4 cluster, there are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.48 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

Publication Date:
Other Number(s):
mp-720615
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; H4NClO5; Cl-H-N-O
OSTI Identifier:
1287207
DOI:
10.17188/1287207

Citation Formats

The Materials Project. Materials Data on H4NClO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287207.
The Materials Project. Materials Data on H4NClO5 by Materials Project. United States. doi:10.17188/1287207.
The Materials Project. 2020. "Materials Data on H4NClO5 by Materials Project". United States. doi:10.17188/1287207. https://www.osti.gov/servlets/purl/1287207. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287207,
title = {Materials Data on H4NClO5 by Materials Project},
author = {The Materials Project},
abstractNote = {NH3OHClO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of eight hydroxyammonium molecules and eight ClO4 clusters. In each ClO4 cluster, there are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.48 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded in a tetrahedral geometry to four O atoms.},
doi = {10.17188/1287207},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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