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Title: Materials Data on C2SClO4F3 by Materials Project

Abstract

CF3SO3C(O)Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight fluoroform molecules and eight CSO4Cl clusters. In each CSO4Cl cluster, C4+ is bonded in a distorted trigonal planar geometry to two O2- and one Cl1- atom. There is one shorter (1.20 Å) and one longer (1.39 Å) C–O bond length. The C–Cl bond length is 1.73 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.43 Å) and one longer (1.66 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one C4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555625
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; C2SClO4F3; C-Cl-F-O-S
OSTI Identifier:
1268914
DOI:
10.17188/1268914

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on C2SClO4F3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268914.
Persson, Kristin, & Project, Materials. Materials Data on C2SClO4F3 by Materials Project. United States. doi:10.17188/1268914.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on C2SClO4F3 by Materials Project". United States. doi:10.17188/1268914. https://www.osti.gov/servlets/purl/1268914. Pub date:Mon Jun 01 00:00:00 EDT 2020
@article{osti_1268914,
title = {Materials Data on C2SClO4F3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CF3SO3C(O)Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight fluoroform molecules and eight CSO4Cl clusters. In each CSO4Cl cluster, C4+ is bonded in a distorted trigonal planar geometry to two O2- and one Cl1- atom. There is one shorter (1.20 Å) and one longer (1.39 Å) C–O bond length. The C–Cl bond length is 1.73 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.43 Å) and one longer (1.66 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1268914},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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