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Title: Materials Data on Li2CuIrF6 by Materials Project

Abstract

(Li)2IrCuF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one IrCuF6 framework. In the IrCuF6 framework, Ir3+ is bonded to six equivalent F1- atoms to form IrF6 octahedra that share corners with six equivalent CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–F bond lengths are 2.05 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent IrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.07 Å. F1- is bonded in a linear geometry to one Ir3+ and one Cu1+ atom.

Publication Date:
Other Number(s):
mp-1111113
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; Li2CuIrF6; Cu-F-Ir-Li
OSTI Identifier:
1744003
DOI:
https://doi.org/10.17188/1744003

Citation Formats

The Materials Project. Materials Data on Li2CuIrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744003.
The Materials Project. Materials Data on Li2CuIrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1744003
The Materials Project. 2020. "Materials Data on Li2CuIrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1744003. https://www.osti.gov/servlets/purl/1744003. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744003,
title = {Materials Data on Li2CuIrF6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Li)2IrCuF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one IrCuF6 framework. In the IrCuF6 framework, Ir3+ is bonded to six equivalent F1- atoms to form IrF6 octahedra that share corners with six equivalent CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–F bond lengths are 2.05 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent IrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.07 Å. F1- is bonded in a linear geometry to one Ir3+ and one Cu1+ atom.},
doi = {10.17188/1744003},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}