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Title: Materials Data on Na2PrCuCl6 by Materials Project

Abstract

(Na)2PrCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one PrCuCl6 framework. In the PrCuCl6 framework, Pr3+ is bonded to six equivalent Cl1- atoms to form PrCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Cl bond lengths are 2.73 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent PrCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Pr3+ and one Cu1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1113375
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; Na2PrCuCl6; Cl-Cu-Na-Pr
OSTI Identifier:
1732310
DOI:
https://doi.org/10.17188/1732310

Citation Formats

The Materials Project. Materials Data on Na2PrCuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732310.
The Materials Project. Materials Data on Na2PrCuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1732310
The Materials Project. 2020. "Materials Data on Na2PrCuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1732310. https://www.osti.gov/servlets/purl/1732310. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732310,
title = {Materials Data on Na2PrCuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Na)2PrCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one PrCuCl6 framework. In the PrCuCl6 framework, Pr3+ is bonded to six equivalent Cl1- atoms to form PrCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Cl bond lengths are 2.73 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent PrCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Pr3+ and one Cu1+ atom.},
doi = {10.17188/1732310},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}