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Title: Materials Data on K3TaI6 by Materials Project

Abstract

(K)2KTaI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one KTaI6 framework. In the KTaI6 framework, K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent TaI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.33 Å. Ta3+ is bonded to six equivalent I1- atoms to form TaI6 octahedra that share corners with six equivalent KI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–I bond lengths are 2.83 Å. I1- is bonded in a linear geometry to one K1+ and one Ta3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111158
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; K3TaI6; I-K-Ta
OSTI Identifier:
1676344
DOI:
https://doi.org/10.17188/1676344

Citation Formats

The Materials Project. Materials Data on K3TaI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676344.
The Materials Project. Materials Data on K3TaI6 by Materials Project. United States. doi:https://doi.org/10.17188/1676344
The Materials Project. 2020. "Materials Data on K3TaI6 by Materials Project". United States. doi:https://doi.org/10.17188/1676344. https://www.osti.gov/servlets/purl/1676344. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1676344,
title = {Materials Data on K3TaI6 by Materials Project},
author = {The Materials Project},
abstractNote = {(K)2KTaI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one KTaI6 framework. In the KTaI6 framework, K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent TaI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.33 Å. Ta3+ is bonded to six equivalent I1- atoms to form TaI6 octahedra that share corners with six equivalent KI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–I bond lengths are 2.83 Å. I1- is bonded in a linear geometry to one K1+ and one Ta3+ atom.},
doi = {10.17188/1676344},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}