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Title: Materials Data on K2YTlF6 by Materials Project

Abstract

K2YTlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent YF6 octahedra, and faces with four equivalent TlF6 octahedra. All K–F bond lengths are 3.42 Å. Y3+ is bonded to six equivalent F1- atoms to form YF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–F bond lengths are 2.18 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent YF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.64 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Y3+, and one Tl1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111122
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; K2YTlF6; F-K-Tl-Y
OSTI Identifier:
1711931
DOI:
https://doi.org/10.17188/1711931

Citation Formats

The Materials Project. Materials Data on K2YTlF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711931.
The Materials Project. Materials Data on K2YTlF6 by Materials Project. United States. doi:https://doi.org/10.17188/1711931
The Materials Project. 2020. "Materials Data on K2YTlF6 by Materials Project". United States. doi:https://doi.org/10.17188/1711931. https://www.osti.gov/servlets/purl/1711931. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1711931,
title = {Materials Data on K2YTlF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2YTlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent YF6 octahedra, and faces with four equivalent TlF6 octahedra. All K–F bond lengths are 3.42 Å. Y3+ is bonded to six equivalent F1- atoms to form YF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–F bond lengths are 2.18 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent YF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.64 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Y3+, and one Tl1+ atom.},
doi = {10.17188/1711931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}