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Title: Materials Data on ZnAs2C12(NF)12 by Materials Project

Abstract

Zn(CN)6(CN)6(AsF6)2 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of eighteen hydrogen cyanide molecules, six AsF6 clusters, and three Zn(CN)6 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.77 Å) and three longer (1.78 Å) As–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As atom. In each Zn(CN)6 cluster, Zn2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Zn–N bond lengths are 2.15 Å. C+3.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Zn2+ and one C+3.83+ atom.

Publication Date:
Other Number(s):
mp-555971
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; ZnAs2C12(NF)12; As-C-F-N-Zn
OSTI Identifier:
1269088
DOI:
10.17188/1269088

Citation Formats

The Materials Project. Materials Data on ZnAs2C12(NF)12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269088.
The Materials Project. Materials Data on ZnAs2C12(NF)12 by Materials Project. United States. doi:10.17188/1269088.
The Materials Project. 2020. "Materials Data on ZnAs2C12(NF)12 by Materials Project". United States. doi:10.17188/1269088. https://www.osti.gov/servlets/purl/1269088. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1269088,
title = {Materials Data on ZnAs2C12(NF)12 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn(CN)6(CN)6(AsF6)2 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of eighteen hydrogen cyanide molecules, six AsF6 clusters, and three Zn(CN)6 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.77 Å) and three longer (1.78 Å) As–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As atom. In each Zn(CN)6 cluster, Zn2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Zn–N bond lengths are 2.15 Å. C+3.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Zn2+ and one C+3.83+ atom.},
doi = {10.17188/1269088},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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