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Title: Materials Data on K2ScInF6 by Materials Project

Abstract

K2ScInF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent ScF6 octahedra, and faces with four equivalent InF6 octahedra. All K–F bond lengths are 3.28 Å. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.03 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent ScF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.59 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Sc3+, and one In1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1112179
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; K2ScInF6; F-In-K-Sc
OSTI Identifier:
1694769
DOI:
https://doi.org/10.17188/1694769

Citation Formats

The Materials Project. Materials Data on K2ScInF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694769.
The Materials Project. Materials Data on K2ScInF6 by Materials Project. United States. doi:https://doi.org/10.17188/1694769
The Materials Project. 2020. "Materials Data on K2ScInF6 by Materials Project". United States. doi:https://doi.org/10.17188/1694769. https://www.osti.gov/servlets/purl/1694769. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694769,
title = {Materials Data on K2ScInF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2ScInF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent ScF6 octahedra, and faces with four equivalent InF6 octahedra. All K–F bond lengths are 3.28 Å. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.03 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent ScF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.59 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Sc3+, and one In1+ atom.},
doi = {10.17188/1694769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}