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Title: Materials Data on ZnH12C2(N3Cl2)2 by Materials Project

Abstract

ZnCl4(CN3H6)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four guanidinium molecules and two 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 2.28–2.32 Å. There are four 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. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-707960
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; ZnH12C2(N3Cl2)2; C-Cl-H-N-Zn
OSTI Identifier:
1286526
DOI:
https://doi.org/10.17188/1286526

Citation Formats

The Materials Project. Materials Data on ZnH12C2(N3Cl2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286526.
The Materials Project. Materials Data on ZnH12C2(N3Cl2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1286526
The Materials Project. 2020. "Materials Data on ZnH12C2(N3Cl2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1286526. https://www.osti.gov/servlets/purl/1286526. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1286526,
title = {Materials Data on ZnH12C2(N3Cl2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnCl4(CN3H6)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four guanidinium molecules and two 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 2.28–2.32 Å. There are four 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. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.},
doi = {10.17188/1286526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}