U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CSNF5 by Materials Project
Abstract
CNSF5 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four cyanopentafluorosulfur molecules. C4+ is bonded in a distorted linear geometry to one N3+ and one S2- atom. The C–N bond length is 1.16 Å. The C–S bond length is 1.76 Å. N3+ is bonded in a single-bond geometry to one C4+ atom. S2- is bonded in a distorted square pyramidal geometry to one C4+ and five F1- atoms. There is two shorter (1.60 Å) and three longer (1.61 Å) S–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one S2- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-556223
- 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; CSNF5; C-F-N-S
- OSTI Identifier:
- 1269234
- DOI:
- https://doi.org/10.17188/1269234
Citation Formats
The Materials Project. Materials Data on CSNF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269234.
The Materials Project. Materials Data on CSNF5 by Materials Project. United States. doi:https://doi.org/10.17188/1269234
The Materials Project. 2020.
"Materials Data on CSNF5 by Materials Project". United States. doi:https://doi.org/10.17188/1269234. https://www.osti.gov/servlets/purl/1269234. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1269234,
title = {Materials Data on CSNF5 by Materials Project},
author = {The Materials Project},
abstractNote = {CNSF5 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four cyanopentafluorosulfur molecules. C4+ is bonded in a distorted linear geometry to one N3+ and one S2- atom. The C–N bond length is 1.16 Å. The C–S bond length is 1.76 Å. N3+ is bonded in a single-bond geometry to one C4+ atom. S2- is bonded in a distorted square pyramidal geometry to one C4+ and five F1- atoms. There is two shorter (1.60 Å) and three longer (1.61 Å) S–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1269234},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}