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Title: Materials Data on RbCrF6 by Materials Project

Abstract

RbCrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with six equivalent CrF6 octahedra, edges with six equivalent RbF12 cuboctahedra, and faces with two equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six shorter (3.03 Å) and six longer (3.18 Å) Rb–F bond lengths. Cr5+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with two equivalent RbF12 cuboctahedra. All Cr–F bond lengths are 1.80 Å. F1- is bonded in a single-bond geometry to two equivalent Rb1+ and one Cr5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554311
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; RbCrF6; Cr-F-Rb
OSTI Identifier:
1267847
DOI:
10.17188/1267847

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbCrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267847.
Persson, Kristin, & Project, Materials. Materials Data on RbCrF6 by Materials Project. United States. doi:10.17188/1267847.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbCrF6 by Materials Project". United States. doi:10.17188/1267847. https://www.osti.gov/servlets/purl/1267847. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1267847,
title = {Materials Data on RbCrF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbCrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with six equivalent CrF6 octahedra, edges with six equivalent RbF12 cuboctahedra, and faces with two equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six shorter (3.03 Å) and six longer (3.18 Å) Rb–F bond lengths. Cr5+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with two equivalent RbF12 cuboctahedra. All Cr–F bond lengths are 1.80 Å. F1- is bonded in a single-bond geometry to two equivalent Rb1+ and one Cr5+ atom.},
doi = {10.17188/1267847},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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