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Title: Materials Data on Na2CeCuCl6 by Materials Project

Abstract

(Na)2CeCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one CeCuCl6 framework. In the CeCuCl6 framework, Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.72 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent CeCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.50 Å. Cl1- is bonded in a linear geometry to one Ce3+ and one Cu1+ atom.

Publication Date:
Other Number(s):
mp-1111509
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; Na2CeCuCl6; Ce-Cl-Cu-Na
OSTI Identifier:
1684323
DOI:
https://doi.org/10.17188/1684323

Citation Formats

The Materials Project. Materials Data on Na2CeCuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684323.
The Materials Project. Materials Data on Na2CeCuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1684323
The Materials Project. 2020. "Materials Data on Na2CeCuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1684323. https://www.osti.gov/servlets/purl/1684323. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684323,
title = {Materials Data on Na2CeCuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Na)2CeCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one CeCuCl6 framework. In the CeCuCl6 framework, Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.72 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent CeCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.50 Å. Cl1- is bonded in a linear geometry to one Ce3+ and one Cu1+ atom.},
doi = {10.17188/1684323},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}