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Title: Materials Data on ZnH12N3Cl5 by Materials Project

Abstract

Zn(NH4)3Cl5 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 hydrochloric 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 2.27–2.32 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.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-723044
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; ZnH12N3Cl5; Cl-H-N-Zn
OSTI Identifier:
1287585
DOI:
10.17188/1287585

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZnH12N3Cl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287585.
Persson, Kristin, & Project, Materials. Materials Data on ZnH12N3Cl5 by Materials Project. United States. doi:10.17188/1287585.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ZnH12N3Cl5 by Materials Project". United States. doi:10.17188/1287585. https://www.osti.gov/servlets/purl/1287585. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287585,
title = {Materials Data on ZnH12N3Cl5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Zn(NH4)3Cl5 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 hydrochloric 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 2.27–2.32 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 = {10.17188/1287585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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