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Title: Materials Data on CsK2AsCl6 by Materials Project

Abstract

(K)2CsAsCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAsCl6 framework. In the CsAsCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent AsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.22 Å. As3+ is bonded to six equivalent Cl1- atoms to form AsCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one As3+ atom.

Publication Date:
Other Number(s):
mp-1112054
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; CsK2AsCl6; As-Cl-Cs-K
OSTI Identifier:
1743981
DOI:
https://doi.org/10.17188/1743981

Citation Formats

The Materials Project. Materials Data on CsK2AsCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743981.
The Materials Project. Materials Data on CsK2AsCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1743981
The Materials Project. 2020. "Materials Data on CsK2AsCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1743981. https://www.osti.gov/servlets/purl/1743981. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1743981,
title = {Materials Data on CsK2AsCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {(K)2CsAsCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAsCl6 framework. In the CsAsCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent AsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.22 Å. As3+ is bonded to six equivalent Cl1- atoms to form AsCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one As3+ atom.},
doi = {10.17188/1743981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}