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Title: Materials Data on Rb2NaGaF6 by Materials Project

Abstract

Rb2NaGaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent GaF6 octahedra. All Rb–F bond lengths are 3.04 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.35 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.94 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Ga3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-989400
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; Rb2NaGaF6; F-Ga-Na-Rb
OSTI Identifier:
1316792
DOI:
https://doi.org/10.17188/1316792

Citation Formats

The Materials Project. Materials Data on Rb2NaGaF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316792.
The Materials Project. Materials Data on Rb2NaGaF6 by Materials Project. United States. doi:https://doi.org/10.17188/1316792
The Materials Project. 2020. "Materials Data on Rb2NaGaF6 by Materials Project". United States. doi:https://doi.org/10.17188/1316792. https://www.osti.gov/servlets/purl/1316792. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316792,
title = {Materials Data on Rb2NaGaF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2NaGaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent GaF6 octahedra. All Rb–F bond lengths are 3.04 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.35 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.94 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Ga3+ atom.},
doi = {10.17188/1316792},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}