U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on C2S(OF)4 by Materials Project
Abstract
CF3FS(O2)OCO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and four FS(O2)OCO clusters. In each FS(O2)OCO cluster, C4+ is bonded in a trigonal planar geometry to two O2- and one F1- atom. There is one shorter (1.19 Å) and one longer (1.36 Å) C–O bond length. The C–F bond length is 1.34 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.43 Å) and one longer (1.68 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 bent 120 degrees geometry to one C4+ and one S4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-555888
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; C2S(OF)4; C-F-O-S
- OSTI Identifier:
- 1269043
- DOI:
- https://doi.org/10.17188/1269043
Citation Formats
The Materials Project. Materials Data on C2S(OF)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269043.
The Materials Project. Materials Data on C2S(OF)4 by Materials Project. United States. doi:https://doi.org/10.17188/1269043
The Materials Project. 2020.
"Materials Data on C2S(OF)4 by Materials Project". United States. doi:https://doi.org/10.17188/1269043. https://www.osti.gov/servlets/purl/1269043. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269043,
title = {Materials Data on C2S(OF)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CF3FS(O2)OCO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and four FS(O2)OCO clusters. In each FS(O2)OCO cluster, C4+ is bonded in a trigonal planar geometry to two O2- and one F1- atom. There is one shorter (1.19 Å) and one longer (1.36 Å) C–O bond length. The C–F bond length is 1.34 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.43 Å) and one longer (1.68 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 bent 120 degrees geometry to one C4+ and one S4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1269043},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}