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Title: Materials Data on CsRb2YF6 by Materials Project

Abstract

CsRb2YF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent YF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.82 Å. Rb1+ is bonded to twelve equivalent F1- atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent CsF6 octahedra, and faces with four equivalent YF6 octahedra. All Rb–F bond lengths are 3.55 Å. Y3+ is bonded to six equivalent F1- atoms to form YF6 octahedra that share corners with six equivalent CsF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–F bond lengths are 2.19 Å. F1- is bonded in a distorted linear geometry to one Cs1+, four equivalent Rb1+, and one Y3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1113328
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; CsRb2YF6; Cs-F-Rb-Y
OSTI Identifier:
1708293
DOI:
https://doi.org/10.17188/1708293

Citation Formats

The Materials Project. Materials Data on CsRb2YF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708293.
The Materials Project. Materials Data on CsRb2YF6 by Materials Project. United States. doi:https://doi.org/10.17188/1708293
The Materials Project. 2020. "Materials Data on CsRb2YF6 by Materials Project". United States. doi:https://doi.org/10.17188/1708293. https://www.osti.gov/servlets/purl/1708293. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708293,
title = {Materials Data on CsRb2YF6 by Materials Project},
author = {The Materials Project},
abstractNote = {CsRb2YF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent YF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.82 Å. Rb1+ is bonded to twelve equivalent F1- atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent CsF6 octahedra, and faces with four equivalent YF6 octahedra. All Rb–F bond lengths are 3.55 Å. Y3+ is bonded to six equivalent F1- atoms to form YF6 octahedra that share corners with six equivalent CsF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–F bond lengths are 2.19 Å. F1- is bonded in a distorted linear geometry to one Cs1+, four equivalent Rb1+, and one Y3+ atom.},
doi = {10.17188/1708293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}