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

Title: Materials Data on SbS2NCl6 by Materials Project

Abstract

NS2SbCl6 is Halite, Rock Salt-like structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two NS2 clusters and two SbCl6 clusters. In each NS2 cluster, N5+ is bonded in a linear geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.50 Å. S2- is bonded in a single-bond geometry to one N5+ atom. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.40 Å) and four longer (2.42 Å) Sb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555056
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; SbS2NCl6; Cl-N-S-Sb
OSTI Identifier:
1268599
DOI:
10.17188/1268599

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SbS2NCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268599.
Persson, Kristin, & Project, Materials. Materials Data on SbS2NCl6 by Materials Project. United States. doi:10.17188/1268599.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SbS2NCl6 by Materials Project". United States. doi:10.17188/1268599. https://www.osti.gov/servlets/purl/1268599. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1268599,
title = {Materials Data on SbS2NCl6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NS2SbCl6 is Halite, Rock Salt-like structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two NS2 clusters and two SbCl6 clusters. In each NS2 cluster, N5+ is bonded in a linear geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.50 Å. S2- is bonded in a single-bond geometry to one N5+ atom. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.40 Å) and four longer (2.42 Å) Sb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1268599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: