U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SbSNF5 by Materials Project
Abstract
NSSbF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four SbF5 ribbons oriented in the (1, 0, 0) direction. In each SbF5 ribbon, there are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–2.00 Å. In the third Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.00 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.94–2.76 Å. There are twenty inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-555255
- 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; SbSNF5; F-N-S-Sb
- OSTI Identifier:
- 1268710
- DOI:
- https://doi.org/10.17188/1268710
Citation Formats
The Materials Project. Materials Data on SbSNF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268710.
The Materials Project. Materials Data on SbSNF5 by Materials Project. United States. doi:https://doi.org/10.17188/1268710
The Materials Project. 2020.
"Materials Data on SbSNF5 by Materials Project". United States. doi:https://doi.org/10.17188/1268710. https://www.osti.gov/servlets/purl/1268710. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1268710,
title = {Materials Data on SbSNF5 by Materials Project},
author = {The Materials Project},
abstractNote = {NSSbF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four SbF5 ribbons oriented in the (1, 0, 0) direction. In each SbF5 ribbon, there are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–2.00 Å. In the third Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.00 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.94–2.76 Å. There are twenty inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two Sb3+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb3+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb3+ atoms. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifteenth F1- site, F1- is bonded in a distorted single-bond geometry to two Sb3+ atoms. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the nineteenth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1268710},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}