U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlSbS2 by Materials Project
Abstract
TlSbS2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.05–3.91 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.15–3.88 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.94 Å. In the second Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.80 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three Tl1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and edge-sharing STl3Sb2 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Tl1+ and two Sb3+ atoms. In the third S2- site, S2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-28230
- 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; TlSbS2; S-Sb-Tl
- OSTI Identifier:
- 1202357
- DOI:
- https://doi.org/10.17188/1202357
Citation Formats
The Materials Project. Materials Data on TlSbS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202357.
The Materials Project. Materials Data on TlSbS2 by Materials Project. United States. doi:https://doi.org/10.17188/1202357
The Materials Project. 2020.
"Materials Data on TlSbS2 by Materials Project". United States. doi:https://doi.org/10.17188/1202357. https://www.osti.gov/servlets/purl/1202357. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202357,
title = {Materials Data on TlSbS2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlSbS2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.05–3.91 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.15–3.88 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.94 Å. In the second Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.80 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three Tl1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and edge-sharing STl3Sb2 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Tl1+ and two Sb3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four Tl1+ and two Sb3+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to four Tl1+ and two equivalent Sb3+ atoms.},
doi = {10.17188/1202357},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}