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Title: Materials Data on KTlBr3 by Materials Project

Abstract

KTlBr3 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight kalium molecules and one TlBr3 framework. In the TlBr3 framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.07 Å. In the second Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.80 Å. Br is bonded in a linear geometry to two Tl atoms.

Authors:
Publication Date:
Other Number(s):
mp-1111155
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; KTlBr3; Br-K-Tl
OSTI Identifier:
1687400
DOI:
https://doi.org/10.17188/1687400

Citation Formats

The Materials Project. Materials Data on KTlBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687400.
The Materials Project. Materials Data on KTlBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1687400
The Materials Project. 2020. "Materials Data on KTlBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1687400. https://www.osti.gov/servlets/purl/1687400. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687400,
title = {Materials Data on KTlBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {KTlBr3 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight kalium molecules and one TlBr3 framework. In the TlBr3 framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.07 Å. In the second Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.80 Å. Br is bonded in a linear geometry to two Tl atoms.},
doi = {10.17188/1687400},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}