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Title: Materials Data on SbN6Cl by Materials Project

Abstract

N2SbN4Cl crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight nitrogen molecules and two SbN4Cl ribbons oriented in the (-1, 1, 0) direction. In each SbN4Cl ribbon, Sb3+ is bonded in a 4-coordinate geometry to three N+0.33- and one Cl1- atom. There are a spread of Sb–N bond distances ranging from 2.17–2.72 Å. The Sb–Cl bond length is 2.45 Å. There are four inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a single-bond geometry to one N+0.33- atom. The N–N bond length is 1.15 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.23 Å. In the third N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent Sb3+ and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a water-like geometry to one Sb3+ and one N+0.33- atom. The N–N bond length is 1.18 Å. Cl1- is bonded in a single-bond geometry to one Sb3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-628690
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; SbN6Cl; Cl-N-Sb
OSTI Identifier:
1278929
DOI:
10.17188/1278929

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SbN6Cl by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1278929.
Persson, Kristin, & Project, Materials. Materials Data on SbN6Cl by Materials Project. United States. doi:10.17188/1278929.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on SbN6Cl by Materials Project". United States. doi:10.17188/1278929. https://www.osti.gov/servlets/purl/1278929. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1278929,
title = {Materials Data on SbN6Cl by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {N2SbN4Cl crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight nitrogen molecules and two SbN4Cl ribbons oriented in the (-1, 1, 0) direction. In each SbN4Cl ribbon, Sb3+ is bonded in a 4-coordinate geometry to three N+0.33- and one Cl1- atom. There are a spread of Sb–N bond distances ranging from 2.17–2.72 Å. The Sb–Cl bond length is 2.45 Å. There are four inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a single-bond geometry to one N+0.33- atom. The N–N bond length is 1.15 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.23 Å. In the third N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent Sb3+ and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a water-like geometry to one Sb3+ and one N+0.33- atom. The N–N bond length is 1.18 Å. Cl1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1278929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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