U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2S7N8 by Materials Project
Abstract
(Tl)2(NS)3N5S4 is Modderite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 1,3,5,2,4,6-trithiatriazinane molecules; eight ramor molecules; and four N5S4 clusters. In each N5S4 cluster, there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.65 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.63 Å) and one longer (1.67 Å) N–S bond length. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.63 Å) and one longer (1.67 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N1+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-542611
- 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; Tl2S7N8; N-S-Tl
- OSTI Identifier:
- 1266598
- DOI:
- https://doi.org/10.17188/1266598
Citation Formats
The Materials Project. Materials Data on Tl2S7N8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266598.
The Materials Project. Materials Data on Tl2S7N8 by Materials Project. United States. doi:https://doi.org/10.17188/1266598
The Materials Project. 2020.
"Materials Data on Tl2S7N8 by Materials Project". United States. doi:https://doi.org/10.17188/1266598. https://www.osti.gov/servlets/purl/1266598. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1266598,
title = {Materials Data on Tl2S7N8 by Materials Project},
author = {The Materials Project},
abstractNote = {(Tl)2(NS)3N5S4 is Modderite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 1,3,5,2,4,6-trithiatriazinane molecules; eight ramor molecules; and four N5S4 clusters. In each N5S4 cluster, there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.65 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.63 Å) and one longer (1.67 Å) N–S bond length. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.63 Å) and one longer (1.67 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N1+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N1+ atoms.},
doi = {10.17188/1266598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}