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Title: Materials Data on K2RbGaCl6 by Materials Project

Abstract

RbK2GaCl6 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 GaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.08 Å. K1+ is bonded to twelve equivalent Cl1- atoms to form distorted 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 GaCl6 octahedra. All K–Cl bond lengths are 3.88 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 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 Ga–Cl bond lengths are 2.39 Å. Cl1- is bonded in a distorted linear geometry to one Rb1+, four equivalent K1+, and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-1111600
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; K2RbGaCl6; Cl-Ga-K-Rb
OSTI Identifier:
1747292
DOI:
https://doi.org/10.17188/1747292

Citation Formats

The Materials Project. Materials Data on K2RbGaCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747292.
The Materials Project. Materials Data on K2RbGaCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1747292
The Materials Project. 2020. "Materials Data on K2RbGaCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1747292. https://www.osti.gov/servlets/purl/1747292. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1747292,
title = {Materials Data on K2RbGaCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbK2GaCl6 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 GaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.08 Å. K1+ is bonded to twelve equivalent Cl1- atoms to form distorted 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 GaCl6 octahedra. All K–Cl bond lengths are 3.88 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 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 Ga–Cl bond lengths are 2.39 Å. Cl1- is bonded in a distorted linear geometry to one Rb1+, four equivalent K1+, and one Ga3+ atom.},
doi = {10.17188/1747292},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}