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Title: Materials Data on K2RbAlCl6 by Materials Project

Abstract

RbK2AlCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent AlCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.07 Å. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent RbCl6 octahedra, and faces with four equivalent AlCl6 octahedra. All K–Cl bond lengths are 3.85 Å. Al3+ is bonded to six equivalent Cl1- atoms to form AlCl6 octahedra that share corners with six equivalent RbCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Cl bond lengths are 2.34 Å. Cl1- is bonded in a distorted linear geometry to one Rb1+, four equivalent K1+, and one Al3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111613
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; K2RbAlCl6; Al-Cl-K-Rb
OSTI Identifier:
1712279
DOI:
https://doi.org/10.17188/1712279

Citation Formats

The Materials Project. Materials Data on K2RbAlCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1712279.
The Materials Project. Materials Data on K2RbAlCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1712279
The Materials Project. 2020. "Materials Data on K2RbAlCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1712279. https://www.osti.gov/servlets/purl/1712279. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1712279,
title = {Materials Data on K2RbAlCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbK2AlCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent AlCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.07 Å. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent RbCl6 octahedra, and faces with four equivalent AlCl6 octahedra. All K–Cl bond lengths are 3.85 Å. Al3+ is bonded to six equivalent Cl1- atoms to form AlCl6 octahedra that share corners with six equivalent RbCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Cl bond lengths are 2.34 Å. Cl1- is bonded in a distorted linear geometry to one Rb1+, four equivalent K1+, and one Al3+ atom.},
doi = {10.17188/1712279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}