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Title: Materials Data on K2LiAsF6 by Materials Project

Abstract

K2LiAsF6 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 LiF6 octahedra, and faces with four equivalent AsF6 octahedra. All K–F bond lengths are 2.95 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent AsF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.10 Å. As3+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–F bond lengths are 2.07 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one As3+ atom.

Publication Date:
Other Number(s):
mp-1111928
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2LiAsF6; As-F-K-Li
OSTI Identifier:
1684249
DOI:
https://doi.org/10.17188/1684249

Citation Formats

The Materials Project. Materials Data on K2LiAsF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684249.
The Materials Project. Materials Data on K2LiAsF6 by Materials Project. United States. doi:https://doi.org/10.17188/1684249
The Materials Project. 2020. "Materials Data on K2LiAsF6 by Materials Project". United States. doi:https://doi.org/10.17188/1684249. https://www.osti.gov/servlets/purl/1684249. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1684249,
title = {Materials Data on K2LiAsF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2LiAsF6 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 LiF6 octahedra, and faces with four equivalent AsF6 octahedra. All K–F bond lengths are 2.95 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent AsF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.10 Å. As3+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–F bond lengths are 2.07 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one As3+ atom.},
doi = {10.17188/1684249},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}