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Title: Materials Data on SbCNCl5 by Materials Project

Abstract

CNSbCl5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and four SbCl5 clusters. In each SbCl5 cluster, Sb5+ is bonded in a distorted square pyramidal geometry to five Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.32–2.38 Å. There are five 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. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

Publication Date:
Other Number(s):
mp-568590
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; SbCNCl5; C-Cl-N-Sb
OSTI Identifier:
1274531
DOI:
10.17188/1274531

Citation Formats

The Materials Project. Materials Data on SbCNCl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274531.
The Materials Project. Materials Data on SbCNCl5 by Materials Project. United States. doi:10.17188/1274531.
The Materials Project. 2020. "Materials Data on SbCNCl5 by Materials Project". United States. doi:10.17188/1274531. https://www.osti.gov/servlets/purl/1274531. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274531,
title = {Materials Data on SbCNCl5 by Materials Project},
author = {The Materials Project},
abstractNote = {CNSbCl5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and four SbCl5 clusters. In each SbCl5 cluster, Sb5+ is bonded in a distorted square pyramidal geometry to five Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.32–2.38 Å. There are five 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. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1274531},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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