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Title: Materials Data on K2TiAuF6 by Materials Project

Abstract

K2TiAuF6 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 TiF6 octahedra, and faces with four equivalent AuF6 octahedra. All K–F bond lengths are 3.33 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent AuF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.89 Å. Au1+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent TiF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.78 Å. F1- is bonded in a distorted single-bond geometry to four equivalent K1+, one Ti3+, and one Au1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111957
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; K2TiAuF6; Au-F-K-Ti
OSTI Identifier:
1674876
DOI:
https://doi.org/10.17188/1674876

Citation Formats

The Materials Project. Materials Data on K2TiAuF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674876.
The Materials Project. Materials Data on K2TiAuF6 by Materials Project. United States. doi:https://doi.org/10.17188/1674876
The Materials Project. 2020. "Materials Data on K2TiAuF6 by Materials Project". United States. doi:https://doi.org/10.17188/1674876. https://www.osti.gov/servlets/purl/1674876. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1674876,
title = {Materials Data on K2TiAuF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2TiAuF6 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 TiF6 octahedra, and faces with four equivalent AuF6 octahedra. All K–F bond lengths are 3.33 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent AuF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.89 Å. Au1+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent TiF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.78 Å. F1- is bonded in a distorted single-bond geometry to four equivalent K1+, one Ti3+, and one Au1+ atom.},
doi = {10.17188/1674876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}