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Title: Materials Data on SrTlCu3Se4 by Materials Project

Abstract

SrCu3TlSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent Se2- atoms to form SrSe4 tetrahedra that share corners with four equivalent TlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Sr–Se bond lengths are 2.88 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent TlSe4 tetrahedra. All Cu–Se bond lengths are 2.69 Å. Tl1+ is bonded to four equivalent Se2- atoms to form TlSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Tl–Se bond lengths are 2.58 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Sr2+, three equivalent Cu+1.67+, and one Tl1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1179060
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; SrTlCu3Se4; Cu-Se-Sr-Tl
OSTI Identifier:
1688037
DOI:
https://doi.org/10.17188/1688037

Citation Formats

The Materials Project. Materials Data on SrTlCu3Se4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688037.
The Materials Project. Materials Data on SrTlCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1688037
The Materials Project. 2020. "Materials Data on SrTlCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1688037. https://www.osti.gov/servlets/purl/1688037. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1688037,
title = {Materials Data on SrTlCu3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCu3TlSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent Se2- atoms to form SrSe4 tetrahedra that share corners with four equivalent TlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Sr–Se bond lengths are 2.88 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent TlSe4 tetrahedra. All Cu–Se bond lengths are 2.69 Å. Tl1+ is bonded to four equivalent Se2- atoms to form TlSe4 tetrahedra that share corners with four equivalent SrSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Tl–Se bond lengths are 2.58 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Sr2+, three equivalent Cu+1.67+, and one Tl1+ atom.},
doi = {10.17188/1688037},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}