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Title: Materials Data on SNClO4 by Materials Project

Abstract

NOSO3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four SO3Cl clusters. In each SO3Cl cluster, S6+ is bonded in a distorted tetrahedral geometry to three O2- and one Cl1- atom. There are a spread of S–O bond distances ranging from 1.45–1.47 Å. The S–Cl bond length is 2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. Cl1- is bonded in a single-bond geometry to one S6+ atom.

Publication Date:
Other Number(s):
mp-1192852
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; SNClO4; Cl-N-O-S
OSTI Identifier:
1706804
DOI:
https://doi.org/10.17188/1706804

Citation Formats

The Materials Project. Materials Data on SNClO4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1706804.
The Materials Project. Materials Data on SNClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1706804
The Materials Project. 2019. "Materials Data on SNClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1706804. https://www.osti.gov/servlets/purl/1706804. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1706804,
title = {Materials Data on SNClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NOSO3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four SO3Cl clusters. In each SO3Cl cluster, S6+ is bonded in a distorted tetrahedral geometry to three O2- and one Cl1- atom. There are a spread of S–O bond distances ranging from 1.45–1.47 Å. The S–Cl bond length is 2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. Cl1- is bonded in a single-bond geometry to one S6+ atom.},
doi = {10.17188/1706804},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}