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Title: Materials Data on CsK2AlBr6 by Materials Project

Abstract

(K)2CsAlBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAlBr6 framework. In the CsAlBr6 framework, Cs1+ is bonded to six equivalent Br1- atoms to form CsBr6 octahedra that share corners with six equivalent AlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Br bond lengths are 3.36 Å. Al3+ is bonded to six equivalent Br1- atoms to form AlBr6 octahedra that share corners with six equivalent CsBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Br bond lengths are 2.52 Å. Br1- is bonded in a linear geometry to one Cs1+ and one Al3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1112328
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; CsK2AlBr6; Al-Br-Cs-K
OSTI Identifier:
1689384
DOI:
https://doi.org/10.17188/1689384

Citation Formats

The Materials Project. Materials Data on CsK2AlBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689384.
The Materials Project. Materials Data on CsK2AlBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1689384
The Materials Project. 2020. "Materials Data on CsK2AlBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1689384. https://www.osti.gov/servlets/purl/1689384. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689384,
title = {Materials Data on CsK2AlBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {(K)2CsAlBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAlBr6 framework. In the CsAlBr6 framework, Cs1+ is bonded to six equivalent Br1- atoms to form CsBr6 octahedra that share corners with six equivalent AlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Br bond lengths are 3.36 Å. Al3+ is bonded to six equivalent Br1- atoms to form AlBr6 octahedra that share corners with six equivalent CsBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Br bond lengths are 2.52 Å. Br1- is bonded in a linear geometry to one Cs1+ and one Al3+ atom.},
doi = {10.17188/1689384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}