Materials Data on Tl4Te3Pb by Materials Project
Abstract
Tl4PbTe3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.22–3.65 Å. Pb2+ is bonded to six Te2- atoms to form corner-sharing PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are four shorter (3.36 Å) and two longer (3.38 Å) Pb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to six equivalent Tl1+ and two equivalent Pb2+ atoms. In the second Te2- site, Te2- is bonded in a 10-coordinate geometry to eight equivalent Tl1+ and two equivalent Pb2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-20740
- 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; Tl4Te3Pb; Pb-Te-Tl
- OSTI Identifier:
- 1195905
- DOI:
- https://doi.org/10.17188/1195905
Citation Formats
The Materials Project. Materials Data on Tl4Te3Pb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195905.
The Materials Project. Materials Data on Tl4Te3Pb by Materials Project. United States. doi:https://doi.org/10.17188/1195905
The Materials Project. 2020.
"Materials Data on Tl4Te3Pb by Materials Project". United States. doi:https://doi.org/10.17188/1195905. https://www.osti.gov/servlets/purl/1195905. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1195905,
title = {Materials Data on Tl4Te3Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Tl4PbTe3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.22–3.65 Å. Pb2+ is bonded to six Te2- atoms to form corner-sharing PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are four shorter (3.36 Å) and two longer (3.38 Å) Pb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to six equivalent Tl1+ and two equivalent Pb2+ atoms. In the second Te2- site, Te2- is bonded in a 10-coordinate geometry to eight equivalent Tl1+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1195905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}
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