DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NiC4Br3N by Materials Project

Abstract

NiBr2(C)3BrCN crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two cyanogen bromide molecules; two propane molecules; and one NiBr2 ribbon oriented in the (0, 1, 0) direction. In the NiBr2 ribbon, Ni2+ is bonded in a square co-planar geometry to four Br1- atoms. All Ni–Br bond lengths are 2.33 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ni2+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ni2+ atoms.

Publication Date:
Other Number(s):
mp-1180252
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; NiC4Br3N; Br-C-N-Ni
OSTI Identifier:
1740367
DOI:
https://doi.org/10.17188/1740367

Citation Formats

The Materials Project. Materials Data on NiC4Br3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740367.
The Materials Project. Materials Data on NiC4Br3N by Materials Project. United States. doi:https://doi.org/10.17188/1740367
The Materials Project. 2020. "Materials Data on NiC4Br3N by Materials Project". United States. doi:https://doi.org/10.17188/1740367. https://www.osti.gov/servlets/purl/1740367. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740367,
title = {Materials Data on NiC4Br3N by Materials Project},
author = {The Materials Project},
abstractNote = {NiBr2(C)3BrCN crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two cyanogen bromide molecules; two propane molecules; and one NiBr2 ribbon oriented in the (0, 1, 0) direction. In the NiBr2 ribbon, Ni2+ is bonded in a square co-planar geometry to four Br1- atoms. All Ni–Br bond lengths are 2.33 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ni2+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ni2+ atoms.},
doi = {10.17188/1740367},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}