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Title: Materials Data on Tl2Ge2S5 by Materials Project

Abstract

Tl2Ge2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Tl–S bond distances ranging from 3.11–4.08 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 3.09–3.86 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.16–2.28 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.17–2.27 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Tl1+ and two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to four equivalent Tl1+ and two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometrymore » to four Tl1+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to four Tl1+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to three Tl1+ and two Ge4+ atoms. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to three Tl1+ and two Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-12307
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; Tl2Ge2S5; Ge-S-Tl
OSTI Identifier:
1188694
DOI:
https://doi.org/10.17188/1188694

Citation Formats

The Materials Project. Materials Data on Tl2Ge2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188694.
The Materials Project. Materials Data on Tl2Ge2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1188694
The Materials Project. 2020. "Materials Data on Tl2Ge2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1188694. https://www.osti.gov/servlets/purl/1188694. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1188694,
title = {Materials Data on Tl2Ge2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2Ge2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Tl–S bond distances ranging from 3.11–4.08 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 3.09–3.86 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.16–2.28 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.17–2.27 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Tl1+ and two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to four equivalent Tl1+ and two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Tl1+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to four Tl1+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to three Tl1+ and two Ge4+ atoms. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to three Tl1+ and two Ge4+ atoms.},
doi = {10.17188/1188694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}