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Title: Materials Data on Cs2RbFeF6 by Materials Project

Abstract

Cs2RbFeF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent FeF6 octahedra. All Cs–F bond lengths are 3.34 Å. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.72 Å. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 1.98 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Rb1+, and one Fe3+ atom.

Publication Date:
Other Number(s):
mp-1112167
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; Cs2RbFeF6; Cs-F-Fe-Rb
OSTI Identifier:
1729606
DOI:
https://doi.org/10.17188/1729606

Citation Formats

The Materials Project. Materials Data on Cs2RbFeF6 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1729606.
The Materials Project. Materials Data on Cs2RbFeF6 by Materials Project. United States. doi:https://doi.org/10.17188/1729606
The Materials Project. 2018. "Materials Data on Cs2RbFeF6 by Materials Project". United States. doi:https://doi.org/10.17188/1729606. https://www.osti.gov/servlets/purl/1729606. Pub date:Tue Aug 14 00:00:00 EDT 2018
@article{osti_1729606,
title = {Materials Data on Cs2RbFeF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2RbFeF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent FeF6 octahedra. All Cs–F bond lengths are 3.34 Å. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.72 Å. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 1.98 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Rb1+, and one Fe3+ atom.},
doi = {10.17188/1729606},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {8}
}