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Title: Materials Data on ZnC2(Br2N3)2 by Materials Project

Abstract

Zn(CN3Br)2(Br)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules, four CN3Br clusters, and two zinc molecules. In each CN3Br cluster, C4+ is bonded in a 1-coordinate geometry to three N3- atoms. There are a spread of C–N bond distances ranging from 1.26–1.41 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one N3- atom. The N–N bond length is 1.29 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one Br2+ atom. The N–Br bond length is 1.97 Å. In the third N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one N3- atom. Br2+ is bonded in a single-bond geometry to one N3- atom.

Authors:
Publication Date:
Other Number(s):
mp-1194420
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; ZnC2(Br2N3)2; Br-C-N-Zn
OSTI Identifier:
1722142
DOI:
https://doi.org/10.17188/1722142

Citation Formats

The Materials Project. Materials Data on ZnC2(Br2N3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1722142.
The Materials Project. Materials Data on ZnC2(Br2N3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722142
The Materials Project. 2019. "Materials Data on ZnC2(Br2N3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722142. https://www.osti.gov/servlets/purl/1722142. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1722142,
title = {Materials Data on ZnC2(Br2N3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn(CN3Br)2(Br)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules, four CN3Br clusters, and two zinc molecules. In each CN3Br cluster, C4+ is bonded in a 1-coordinate geometry to three N3- atoms. There are a spread of C–N bond distances ranging from 1.26–1.41 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one N3- atom. The N–N bond length is 1.29 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one Br2+ atom. The N–Br bond length is 1.97 Å. In the third N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one N3- atom. Br2+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1722142},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}