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Title: Materials Data on Cs2RbCuF6 by Materials Project

Abstract

Cs2RbCuF6 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 CuF6 octahedra. All Cs–F bond lengths are 3.30 Å. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.69 Å. Cu3+ is bonded to six equivalent F1- atoms to form CuF6 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 Cu–F bond lengths are 1.94 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Rb1+, and one Cu3+ atom.

Publication Date:
Other Number(s):
mp-1206535
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; Cs2RbCuF6; Cs-Cu-F-Rb
OSTI Identifier:
1662508
DOI:
https://doi.org/10.17188/1662508

Citation Formats

The Materials Project. Materials Data on Cs2RbCuF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662508.
The Materials Project. Materials Data on Cs2RbCuF6 by Materials Project. United States. doi:https://doi.org/10.17188/1662508
The Materials Project. 2020. "Materials Data on Cs2RbCuF6 by Materials Project". United States. doi:https://doi.org/10.17188/1662508. https://www.osti.gov/servlets/purl/1662508. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1662508,
title = {Materials Data on Cs2RbCuF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2RbCuF6 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 CuF6 octahedra. All Cs–F bond lengths are 3.30 Å. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.69 Å. Cu3+ is bonded to six equivalent F1- atoms to form CuF6 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 Cu–F bond lengths are 1.94 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Rb1+, and one Cu3+ atom.},
doi = {10.17188/1662508},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}