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Title: Materials Data on Zn(I3N2)2 by Materials Project

Abstract

Zn(N2)2(I)6 crystallizes in the trigonal P3_121 space group. The structure is zero-dimensional and consists of twelve ammonia molecules, six I clusters, and three zinc molecules. In each I cluster, there are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.87 Å) and one longer (2.93 Å) I–I bond lengths. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one I1- atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to one I1- atom.

Publication Date:
Other Number(s):
mp-1202909
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; Zn(I3N2)2; I-N-Zn
OSTI Identifier:
1705492
DOI:
https://doi.org/10.17188/1705492

Citation Formats

The Materials Project. Materials Data on Zn(I3N2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705492.
The Materials Project. Materials Data on Zn(I3N2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1705492
The Materials Project. 2019. "Materials Data on Zn(I3N2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1705492. https://www.osti.gov/servlets/purl/1705492. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1705492,
title = {Materials Data on Zn(I3N2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn(N2)2(I)6 crystallizes in the trigonal P3_121 space group. The structure is zero-dimensional and consists of twelve ammonia molecules, six I clusters, and three zinc molecules. In each I cluster, there are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.87 Å) and one longer (2.93 Å) I–I bond lengths. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one I1- atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to one I1- atom.},
doi = {10.17188/1705492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}