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Title: Materials Data on K2TlInI6 by Materials Project

Abstract

(K)2TlInI6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TlInI6 framework. In the TlInI6 framework, Tl1+ is bonded to six equivalent I1- atoms to form TlI6 octahedra that share corners with six equivalent InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–I bond lengths are 3.31 Å. In3+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent TlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.95 Å. I1- is bonded in a linear geometry to one Tl1+ and one In3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111269
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; K2TlInI6; I-In-K-Tl
OSTI Identifier:
1745858
DOI:
https://doi.org/10.17188/1745858

Citation Formats

The Materials Project. Materials Data on K2TlInI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745858.
The Materials Project. Materials Data on K2TlInI6 by Materials Project. United States. doi:https://doi.org/10.17188/1745858
The Materials Project. 2020. "Materials Data on K2TlInI6 by Materials Project". United States. doi:https://doi.org/10.17188/1745858. https://www.osti.gov/servlets/purl/1745858. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1745858,
title = {Materials Data on K2TlInI6 by Materials Project},
author = {The Materials Project},
abstractNote = {(K)2TlInI6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TlInI6 framework. In the TlInI6 framework, Tl1+ is bonded to six equivalent I1- atoms to form TlI6 octahedra that share corners with six equivalent InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–I bond lengths are 3.31 Å. In3+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent TlI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.95 Å. I1- is bonded in a linear geometry to one Tl1+ and one In3+ atom.},
doi = {10.17188/1745858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}