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Title: Materials Data on Tl(CuSe)2 by Materials Project

Abstract

TlCu2Se2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.43 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Cu+1.50+ and four equivalent Tl1+ atoms.

Publication Date:
Other Number(s):
mp-5000
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; Tl(CuSe)2; Cu-Se-Tl
OSTI Identifier:
1208555
DOI:
https://doi.org/10.17188/1208555

Citation Formats

The Materials Project. Materials Data on Tl(CuSe)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1208555.
The Materials Project. Materials Data on Tl(CuSe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1208555
The Materials Project. 2017. "Materials Data on Tl(CuSe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1208555. https://www.osti.gov/servlets/purl/1208555. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1208555,
title = {Materials Data on Tl(CuSe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlCu2Se2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.43 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Cu+1.50+ and four equivalent Tl1+ atoms.},
doi = {10.17188/1208555},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}