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Title: Materials Data on K2NaAlF6 by Materials Project

Abstract

K2NaAlF6 is (Cubic) Perovskite-derived structured and 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 NaF6 octahedra, and faces with four equivalent AlF6 octahedra. All K–F bond lengths are 2.93 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.29 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.84 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Al3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-6586
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; K2NaAlF6; Al-F-K-Na
OSTI Identifier:
1281376
DOI:
https://doi.org/10.17188/1281376

Citation Formats

The Materials Project. Materials Data on K2NaAlF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281376.
The Materials Project. Materials Data on K2NaAlF6 by Materials Project. United States. doi:https://doi.org/10.17188/1281376
The Materials Project. 2020. "Materials Data on K2NaAlF6 by Materials Project". United States. doi:https://doi.org/10.17188/1281376. https://www.osti.gov/servlets/purl/1281376. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1281376,
title = {Materials Data on K2NaAlF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2NaAlF6 is (Cubic) Perovskite-derived structured and 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 NaF6 octahedra, and faces with four equivalent AlF6 octahedra. All K–F bond lengths are 2.93 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.29 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.84 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Al3+ atom.},
doi = {10.17188/1281376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}