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Title: Materials Data on K2RbGaF6 by Materials Project

Abstract

RbK2GaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.62 Å. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent GaF6 octahedra. All K–F bond lengths are 3.23 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.92 Å. F1- is bonded in a 2-coordinate geometry to one Rb1+, four equivalent K1+, and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-1111144
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; K2RbGaF6; F-Ga-K-Rb
OSTI Identifier:
1651772
DOI:
https://doi.org/10.17188/1651772

Citation Formats

The Materials Project. Materials Data on K2RbGaF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651772.
The Materials Project. Materials Data on K2RbGaF6 by Materials Project. United States. doi:https://doi.org/10.17188/1651772
The Materials Project. 2020. "Materials Data on K2RbGaF6 by Materials Project". United States. doi:https://doi.org/10.17188/1651772. https://www.osti.gov/servlets/purl/1651772. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1651772,
title = {Materials Data on K2RbGaF6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbK2GaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.62 Å. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent GaF6 octahedra. All K–F bond lengths are 3.23 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.92 Å. F1- is bonded in a 2-coordinate geometry to one Rb1+, four equivalent K1+, and one Ga3+ atom.},
doi = {10.17188/1651772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}