Title: Materials Data on Na2SmCuCl6 by Materials Project

Abstract

(Na)2SmCuCl6 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 SmCuCl6 framework. In the SmCuCl6 framework, Sm3+ is bonded to six equivalent Cl1- atoms to form SmCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Cl bond lengths are 2.68 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent SmCl6 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 Sm3+ and one Cu1+ atom.

Publication Date:
Other Number(s):
mp-1111488
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Cl-Cu-Na-Sm; crystal structure; Na2SmCuCl6
OSTI Identifier:
1685174
DOI:
https://doi.org/10.17188/1685174

Citation Formats

Materials Data on Na2SmCuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685174.
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Materials Data on Na2SmCuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1685174
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2020. "Materials Data on Na2SmCuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1685174. https://www.osti.gov/servlets/purl/1685174. Pub date:Sat May 02 20:00:00 EDT 2020
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@article{osti_1685174,
title = {Materials Data on Na2SmCuCl6 by Materials Project},
abstractNote = {(Na)2SmCuCl6 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 SmCuCl6 framework. In the SmCuCl6 framework, Sm3+ is bonded to six equivalent Cl1- atoms to form SmCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Cl bond lengths are 2.68 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent SmCl6 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 Sm3+ and one Cu1+ atom.},
doi = {10.17188/1685174},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1685174
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