U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn(S4I)4 by Materials Project
Abstract
Sn(S)16(I)4 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight 7440-31-5 molecules, thirty-two hydriodic acid molecules, and eight S clusters. In each S cluster, there are eight inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to two S+1.50- atoms. There are one shorter (2.12 Å) and one longer (2.19 Å) S–S bond lengths. In the second S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to two S+1.50- atoms. There are one shorter (1.93 Å) and one longer (2.39 Å) S–S bond lengths. In the third S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two S+1.50- atoms. There are one shorter (1.99 Å) and one longer (2.23 Å) S–S bond lengths. In the fourth S+1.50- site, S+1.50- is bonded in a 2-coordinate geometry to two S+1.50- atoms. The S–S bond length is 1.93 Å. In the fifth S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to two S+1.50- atoms. The S–S bond length is 1.94 Å. In the sixth S+1.50- site, S+1.50- is bonded in a water-like geometry to two S+1.50- atoms. In the seventh S+1.50- site, S+1.50- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179755
- 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; Sn(S4I)4; I-S-Sn
- OSTI Identifier:
- 1679035
- DOI:
- https://doi.org/10.17188/1679035
Citation Formats
The Materials Project. Materials Data on Sn(S4I)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1679035.
The Materials Project. Materials Data on Sn(S4I)4 by Materials Project. United States. doi:https://doi.org/10.17188/1679035
The Materials Project. 2020.
"Materials Data on Sn(S4I)4 by Materials Project". United States. doi:https://doi.org/10.17188/1679035. https://www.osti.gov/servlets/purl/1679035. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1679035,
title = {Materials Data on Sn(S4I)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn(S)16(I)4 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight 7440-31-5 molecules, thirty-two hydriodic acid molecules, and eight S clusters. In each S cluster, there are eight inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to two S+1.50- atoms. There are one shorter (2.12 Å) and one longer (2.19 Å) S–S bond lengths. In the second S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to two S+1.50- atoms. There are one shorter (1.93 Å) and one longer (2.39 Å) S–S bond lengths. In the third S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two S+1.50- atoms. There are one shorter (1.99 Å) and one longer (2.23 Å) S–S bond lengths. In the fourth S+1.50- site, S+1.50- is bonded in a 2-coordinate geometry to two S+1.50- atoms. The S–S bond length is 1.93 Å. In the fifth S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to two S+1.50- atoms. The S–S bond length is 1.94 Å. In the sixth S+1.50- site, S+1.50- is bonded in a water-like geometry to two S+1.50- atoms. In the seventh S+1.50- site, S+1.50- is bonded in a distorted bent 120 degrees geometry to two S+1.50- atoms. In the eighth S+1.50- site, S+1.50- is bonded in a single-bond geometry to one S+1.50- atom.},
doi = {10.17188/1679035},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}