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Title: Materials Data on RbCoCuF6 by Materials Project

Abstract

RbCoCuF6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with six equivalent CoF6 octahedra and corners with six equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 67–68°. There are five shorter (3.10 Å) and one longer (3.17 Å) Rb–F bond lengths. Co3+ is bonded to six F1- atoms to form CoF6 octahedra that share corners with two equivalent CoF6 octahedra, corners with four equivalent CuF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 44–68°. There is four shorter (1.93 Å) and two longer (1.98 Å) Co–F bond length. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent CuF6 octahedra, corners with four equivalent CoF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 45–68°. There is two shorter (1.96 Å) and four longer (2.03 Å) Cu–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Co3+ atoms. In the second F1- site, F1-more » is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Cu2+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+, one Co3+, and one Cu2+ atom.« less

Publication Date:
Other Number(s):
mp-1219629
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; RbCoCuF6; Co-Cu-F-Rb
OSTI Identifier:
1676619
DOI:
https://doi.org/10.17188/1676619

Citation Formats

The Materials Project. Materials Data on RbCoCuF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676619.
The Materials Project. Materials Data on RbCoCuF6 by Materials Project. United States. doi:https://doi.org/10.17188/1676619
The Materials Project. 2020. "Materials Data on RbCoCuF6 by Materials Project". United States. doi:https://doi.org/10.17188/1676619. https://www.osti.gov/servlets/purl/1676619. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676619,
title = {Materials Data on RbCoCuF6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCoCuF6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with six equivalent CoF6 octahedra and corners with six equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 67–68°. There are five shorter (3.10 Å) and one longer (3.17 Å) Rb–F bond lengths. Co3+ is bonded to six F1- atoms to form CoF6 octahedra that share corners with two equivalent CoF6 octahedra, corners with four equivalent CuF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 44–68°. There is four shorter (1.93 Å) and two longer (1.98 Å) Co–F bond length. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent CuF6 octahedra, corners with four equivalent CoF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 45–68°. There is two shorter (1.96 Å) and four longer (2.03 Å) Cu–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Co3+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Cu2+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+, one Co3+, and one Cu2+ atom.},
doi = {10.17188/1676619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}