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Title: Materials Data on Tl2GeS3 by Materials Project

Abstract

Tl2GeS3 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 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.06–3.73 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.09–3.98 Å. Ge4+ is bonded to four S2- atoms to form edge-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.19–2.30 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to five Tl1+ and two equivalent Ge4+ atoms.

Publication Date:
Other Number(s):
mp-7277
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; Tl2GeS3; Ge-S-Tl
OSTI Identifier:
1287632
DOI:
10.17188/1287632

Citation Formats

The Materials Project. Materials Data on Tl2GeS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287632.
The Materials Project. Materials Data on Tl2GeS3 by Materials Project. United States. doi:10.17188/1287632.
The Materials Project. 2020. "Materials Data on Tl2GeS3 by Materials Project". United States. doi:10.17188/1287632. https://www.osti.gov/servlets/purl/1287632. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1287632,
title = {Materials Data on Tl2GeS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2GeS3 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 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.06–3.73 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.09–3.98 Å. Ge4+ is bonded to four S2- atoms to form edge-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.19–2.30 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to five Tl1+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1287632},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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