Materials Data on TlInS2 by Materials Project
Abstract
TlInS2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.91 Å. In3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of In–S bond distances ranging from 2.78–2.90 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Tl1+, two equivalent In3+, and two equivalent S2- atoms. There are one shorter (2.10 Å) and one longer (3.15 Å) S–S bond lengths. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Tl1+, one In3+, and two equivalent S2- atoms.
- Authors:
- Contributors:
-
Researcher:
- Publication Date:
- Other Number(s):
- mp-632539
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; TlInS2; In-S-Tl
- OSTI Identifier:
- 1279324
- DOI:
- 10.17188/1279324
Citation Formats
Persson, Kristin, and Project, Materials. Materials Data on TlInS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279324.
Persson, Kristin, & Project, Materials. Materials Data on TlInS2 by Materials Project. United States. doi:10.17188/1279324.
Persson, Kristin, and Project, Materials. 2020.
"Materials Data on TlInS2 by Materials Project". United States. doi:10.17188/1279324. https://www.osti.gov/servlets/purl/1279324. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279324,
title = {Materials Data on TlInS2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TlInS2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.91 Å. In3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of In–S bond distances ranging from 2.78–2.90 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Tl1+, two equivalent In3+, and two equivalent S2- atoms. There are one shorter (2.10 Å) and one longer (3.15 Å) S–S bond lengths. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Tl1+, one In3+, and two equivalent S2- atoms.},
doi = {10.17188/1279324},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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