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Title: Materials Data on SbCNCl6 by Materials Project

Abstract

CSbNCl6 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four CSbNCl6 clusters. C4+ is bonded in a linear geometry to one N3- and one Cl1- atom. The C–N bond length is 1.17 Å. The C–Cl bond length is 1.59 Å. Sb5+ is bonded in an octahedral geometry to one N3- and five Cl1- atoms. The Sb–N bond length is 2.32 Å. There are one shorter (2.37 Å) and four longer (2.38 Å) Sb–Cl bond lengths. N3- is bonded in a distorted linear geometry to one C4+ and one Sb5+ atom. There are four 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 C4+ atom.

Publication Date:
Other Number(s):
mp-570727
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; SbCNCl6; C-Cl-N-Sb
OSTI Identifier:
1275879
DOI:
10.17188/1275879

Citation Formats

The Materials Project. Materials Data on SbCNCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275879.
The Materials Project. Materials Data on SbCNCl6 by Materials Project. United States. doi:10.17188/1275879.
The Materials Project. 2020. "Materials Data on SbCNCl6 by Materials Project". United States. doi:10.17188/1275879. https://www.osti.gov/servlets/purl/1275879. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1275879,
title = {Materials Data on SbCNCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {CSbNCl6 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four CSbNCl6 clusters. C4+ is bonded in a linear geometry to one N3- and one Cl1- atom. The C–N bond length is 1.17 Å. The C–Cl bond length is 1.59 Å. Sb5+ is bonded in an octahedral geometry to one N3- and five Cl1- atoms. The Sb–N bond length is 2.32 Å. There are one shorter (2.37 Å) and four longer (2.38 Å) Sb–Cl bond lengths. N3- is bonded in a distorted linear geometry to one C4+ and one Sb5+ atom. There are four 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 C4+ atom.},
doi = {10.17188/1275879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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