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Title: Materials Data on Li2InCuCl6 by Materials Project

Abstract

(Li)2CuInCl6 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 CuInCl6 framework. In the CuInCl6 framework, Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.46 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.55 Å. Cl1- is bonded in a linear geometry to one Cu1+ and one In3+ atom.

Publication Date:
Other Number(s):
mp-1111123
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; Li2InCuCl6; Cl-Cu-In-Li
OSTI Identifier:
1749707
DOI:
https://doi.org/10.17188/1749707

Citation Formats

The Materials Project. Materials Data on Li2InCuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749707.
The Materials Project. Materials Data on Li2InCuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1749707
The Materials Project. 2020. "Materials Data on Li2InCuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1749707. https://www.osti.gov/servlets/purl/1749707. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749707,
title = {Materials Data on Li2InCuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Li)2CuInCl6 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 CuInCl6 framework. In the CuInCl6 framework, Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.46 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.55 Å. Cl1- is bonded in a linear geometry to one Cu1+ and one In3+ atom.},
doi = {10.17188/1749707},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}