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Title: Materials Data on K2LiIrF6 by Materials Project

Abstract

K2LiIrF6 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 IrF6 octahedra. All K–F bond lengths are 2.91 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent IrF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.08 Å. Ir3+ is bonded to six equivalent F1- atoms to form IrF6 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 Ir–F bond lengths are 2.04 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Ir3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111926
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; K2LiIrF6; F-Ir-K-Li
OSTI Identifier:
1666570
DOI:
https://doi.org/10.17188/1666570

Citation Formats

The Materials Project. Materials Data on K2LiIrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666570.
The Materials Project. Materials Data on K2LiIrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1666570
The Materials Project. 2020. "Materials Data on K2LiIrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1666570. https://www.osti.gov/servlets/purl/1666570. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1666570,
title = {Materials Data on K2LiIrF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2LiIrF6 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 IrF6 octahedra. All K–F bond lengths are 2.91 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent IrF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.08 Å. Ir3+ is bonded to six equivalent F1- atoms to form IrF6 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 Ir–F bond lengths are 2.04 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Ir3+ atom.},
doi = {10.17188/1666570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}