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Title: Materials Data on Cs3TlI6 by Materials Project

Abstract

(Cs)2CsTlI6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight cesium molecules and one CsTlI6 framework. In the CsTlI6 framework, Cs1+ is bonded to six equivalent I1- atoms to form CsI6 octahedra that share corners with six equivalent TlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–I bond lengths are 3.61 Å. Tl3+ is bonded to six equivalent I1- atoms to form TlI6 octahedra that share corners with six equivalent CsI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–I bond lengths are 3.02 Å. I1- is bonded in a linear geometry to one Cs1+ and one Tl3+ atom.

Publication Date:
Other Number(s):
mp-1112949
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; Cs3TlI6; Cs-I-Tl
OSTI Identifier:
1727147
DOI:
https://doi.org/10.17188/1727147

Citation Formats

The Materials Project. Materials Data on Cs3TlI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727147.
The Materials Project. Materials Data on Cs3TlI6 by Materials Project. United States. doi:https://doi.org/10.17188/1727147
The Materials Project. 2020. "Materials Data on Cs3TlI6 by Materials Project". United States. doi:https://doi.org/10.17188/1727147. https://www.osti.gov/servlets/purl/1727147. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1727147,
title = {Materials Data on Cs3TlI6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Cs)2CsTlI6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight cesium molecules and one CsTlI6 framework. In the CsTlI6 framework, Cs1+ is bonded to six equivalent I1- atoms to form CsI6 octahedra that share corners with six equivalent TlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–I bond lengths are 3.61 Å. Tl3+ is bonded to six equivalent I1- atoms to form TlI6 octahedra that share corners with six equivalent CsI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–I bond lengths are 3.02 Å. I1- is bonded in a linear geometry to one Cs1+ and one Tl3+ atom.},
doi = {10.17188/1727147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}