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Title: Materials Data on ZnH12N4Cl4O3 by Materials Project

Abstract

ZnCl4(NH4)3NO3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twelve ammonium molecules, four nitric acid molecules, and four ZnCl4 clusters. In each ZnCl4 cluster, Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.26–2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.

Publication Date:
Other Number(s):
mp-762311
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; ZnH12N4Cl4O3; Cl-H-N-O-Zn
OSTI Identifier:
1292562
DOI:
10.17188/1292562

Citation Formats

The Materials Project. Materials Data on ZnH12N4Cl4O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1292562.
The Materials Project. Materials Data on ZnH12N4Cl4O3 by Materials Project. United States. doi:10.17188/1292562.
The Materials Project. 2020. "Materials Data on ZnH12N4Cl4O3 by Materials Project". United States. doi:10.17188/1292562. https://www.osti.gov/servlets/purl/1292562. Pub date:Mon Jun 01 00:00:00 EDT 2020
@article{osti_1292562,
title = {Materials Data on ZnH12N4Cl4O3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnCl4(NH4)3NO3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twelve ammonium molecules, four nitric acid molecules, and four ZnCl4 clusters. In each ZnCl4 cluster, Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.26–2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.},
doi = {10.17188/1292562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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