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Title: Materials Data on Ni(I5N3)2 by Materials Project

Abstract

NiN2(IN2)2(I)8 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; two nickel molecules; four IN2 clusters; and two I ribbons oriented in the (0, 1, 0) direction. In each IN2 cluster, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to one I1- atom. The N–I bond length is 1.97 Å. In the second N1+ site, N1+ is bonded in a single-bond geometry to one I1- atom. The N–I bond length is 1.97 Å. I1- is bonded in an L-shaped geometry to two N1+ atoms. In each I ribbon, there are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to two I1- atoms. There are one shorter (2.91 Å) and one longer (2.92 Å) I–I bond lengths. In the second I1- site, I1- is bonded in a water-like geometry to two I1- atoms. The I–I bond length is 2.94 Å. In the third I1- site, I1- is bonded in a distorted linear geometry to two I1- atoms. The I–I bond length is 2.95 Å. In the fourth I1- site, I1- is bonded inmore » a distorted bent 120 degrees geometry to two I1- atoms.« less

Publication Date:
Other Number(s):
mp-1211426
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; Ni(I5N3)2; I-N-Ni
OSTI Identifier:
1707442
DOI:
https://doi.org/10.17188/1707442

Citation Formats

The Materials Project. Materials Data on Ni(I5N3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707442.
The Materials Project. Materials Data on Ni(I5N3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1707442
The Materials Project. 2020. "Materials Data on Ni(I5N3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1707442. https://www.osti.gov/servlets/purl/1707442. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1707442,
title = {Materials Data on Ni(I5N3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NiN2(IN2)2(I)8 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; two nickel molecules; four IN2 clusters; and two I ribbons oriented in the (0, 1, 0) direction. In each IN2 cluster, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to one I1- atom. The N–I bond length is 1.97 Å. In the second N1+ site, N1+ is bonded in a single-bond geometry to one I1- atom. The N–I bond length is 1.97 Å. I1- is bonded in an L-shaped geometry to two N1+ atoms. In each I ribbon, there are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to two I1- atoms. There are one shorter (2.91 Å) and one longer (2.92 Å) I–I bond lengths. In the second I1- site, I1- is bonded in a water-like geometry to two I1- atoms. The I–I bond length is 2.94 Å. In the third I1- site, I1- is bonded in a distorted linear geometry to two I1- atoms. The I–I bond length is 2.95 Å. In the fourth I1- site, I1- is bonded in a distorted bent 120 degrees geometry to two I1- atoms.},
doi = {10.17188/1707442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}