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.
- Publication Date:
- Other Number(s):
- mp-556223
- 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; CSNF5; C-F-N-S
- OSTI Identifier:
- 1269234
- DOI:
- 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:10.17188/1269234.
The Materials Project. 2020.
"Materials Data on CSNF5 by Materials Project". United States. doi: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}
}