U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl4GeS4 by Materials Project
Abstract
Tl4GeS4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 2.96–3.52 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Tl–S bond distances ranging from 3.02–3.59 Å. In the third Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 3.02–3.80 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 2.98–3.91 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.24 Å) and one longer (2.25 Å) Ge–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Tl1+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Tl1+ and one Ge4+ atom. Inmore »
- Publication Date:
- Other Number(s):
- mp-17207
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ge-S-Tl; Tl4GeS4; crystal structure
- OSTI Identifier:
- 1192389
- DOI:
- https://doi.org/10.17188/1192389
Citation Formats
Materials Data on Tl4GeS4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1192389.
Materials Data on Tl4GeS4 by Materials Project. United States. doi:https://doi.org/10.17188/1192389
2017.
"Materials Data on Tl4GeS4 by Materials Project". United States. doi:https://doi.org/10.17188/1192389. https://www.osti.gov/servlets/purl/1192389. Pub date:Thu May 11 04:00:00 UTC 2017
@article{osti_1192389,
title = {Materials Data on Tl4GeS4 by Materials Project},
abstractNote = {Tl4GeS4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 2.96–3.52 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Tl–S bond distances ranging from 3.02–3.59 Å. In the third Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 3.02–3.80 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 2.98–3.91 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.24 Å) and one longer (2.25 Å) Ge–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Tl1+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Tl1+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to five Tl1+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to six Tl1+ and one Ge4+ atom.},
doi = {10.17188/1192389},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}