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Title: Materials Data on Tl4CuTe3 by Materials Project

Abstract

CuTl4Te3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cu2+ is bonded to six Te2- atoms to form corner-sharing CuTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. There are two shorter (3.10 Å) and four longer (3.31 Å) Cu–Te bond lengths. Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.09–3.55 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 10-coordinate geometry to two equivalent Cu2+ and eight equivalent Tl1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to two equivalent Cu2+ and six equivalent Tl1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-34765
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; Tl4CuTe3; Cu-Te-Tl
OSTI Identifier:
1206885
DOI:
10.17188/1206885

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tl4CuTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206885.
Persson, Kristin, & Project, Materials. Materials Data on Tl4CuTe3 by Materials Project. United States. doi:10.17188/1206885.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Tl4CuTe3 by Materials Project". United States. doi:10.17188/1206885. https://www.osti.gov/servlets/purl/1206885. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1206885,
title = {Materials Data on Tl4CuTe3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuTl4Te3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cu2+ is bonded to six Te2- atoms to form corner-sharing CuTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. There are two shorter (3.10 Å) and four longer (3.31 Å) Cu–Te bond lengths. Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.09–3.55 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 10-coordinate geometry to two equivalent Cu2+ and eight equivalent Tl1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to two equivalent Cu2+ and six equivalent Tl1+ atoms.},
doi = {10.17188/1206885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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