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Title: Materials Data on KAsF6 by Materials Project

Abstract

KAsF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent AsF6 octahedra, edges with six equivalent KF12 cuboctahedra, and faces with two equivalent AsF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are six shorter (2.96 Å) and six longer (3.03 Å) K–F bond lengths. As5+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with two equivalent KF12 cuboctahedra. All As–F bond lengths are 1.78 Å. F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one As5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-7569
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; KAsF6; As-F-K
OSTI Identifier:
1290656
DOI:
https://doi.org/10.17188/1290656

Citation Formats

The Materials Project. Materials Data on KAsF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290656.
The Materials Project. Materials Data on KAsF6 by Materials Project. United States. doi:https://doi.org/10.17188/1290656
The Materials Project. 2020. "Materials Data on KAsF6 by Materials Project". United States. doi:https://doi.org/10.17188/1290656. https://www.osti.gov/servlets/purl/1290656. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1290656,
title = {Materials Data on KAsF6 by Materials Project},
author = {The Materials Project},
abstractNote = {KAsF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent AsF6 octahedra, edges with six equivalent KF12 cuboctahedra, and faces with two equivalent AsF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are six shorter (2.96 Å) and six longer (3.03 Å) K–F bond lengths. As5+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with two equivalent KF12 cuboctahedra. All As–F bond lengths are 1.78 Å. F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one As5+ atom.},
doi = {10.17188/1290656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}