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Title: Materials Data on Tl2GeTe3 by Materials Project

Abstract

Tl2GeTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to one Tl1+ and seven Te2- atoms. The Tl–Tl bond length is 3.62 Å. There are a spread of Tl–Te bond distances ranging from 3.27–4.29 Å. In the second Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to two Tl1+ and eight Te2- atoms. The Tl–Tl bond length is 3.60 Å. There are a spread of Tl–Te bond distances ranging from 3.43–3.84 Å. Ge4+ is bonded to four Te2- atoms to form edge-sharing GeTe4 tetrahedra. There are a spread of Ge–Te bond distances ranging from 2.63–2.70 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to five Tl1+, one Ge4+, and one Te2- atom. The Te–Te bond length is 3.49 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+, two equivalent Ge4+, and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four equivalent Tl1+ and two equivalent Ge4+ atoms. In the fourthmore » Te2- site, Te2- is bonded in a 6-coordinate geometry to six Tl1+ and one Ge4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-29034
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; Tl2GeTe3; Ge-Te-Tl
OSTI Identifier:
1203117
DOI:
https://doi.org/10.17188/1203117

Citation Formats

The Materials Project. Materials Data on Tl2GeTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203117.
The Materials Project. Materials Data on Tl2GeTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1203117
The Materials Project. 2020. "Materials Data on Tl2GeTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1203117. https://www.osti.gov/servlets/purl/1203117. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203117,
title = {Materials Data on Tl2GeTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2GeTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to one Tl1+ and seven Te2- atoms. The Tl–Tl bond length is 3.62 Å. There are a spread of Tl–Te bond distances ranging from 3.27–4.29 Å. In the second Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to two Tl1+ and eight Te2- atoms. The Tl–Tl bond length is 3.60 Å. There are a spread of Tl–Te bond distances ranging from 3.43–3.84 Å. Ge4+ is bonded to four Te2- atoms to form edge-sharing GeTe4 tetrahedra. There are a spread of Ge–Te bond distances ranging from 2.63–2.70 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to five Tl1+, one Ge4+, and one Te2- atom. The Te–Te bond length is 3.49 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+, two equivalent Ge4+, and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four equivalent Tl1+ and two equivalent Ge4+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Tl1+ and one Ge4+ atom.},
doi = {10.17188/1203117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}