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Title: Materials Data on RbCuF3 by Materials Project

Abstract

RbCuF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent CuF6 octahedra. All Rb–F bond lengths are 2.93 Å. Cu2+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.07 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Cu2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554601
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; RbCuF3; Cu-F-Rb
OSTI Identifier:
1267974
DOI:
10.17188/1267974

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbCuF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267974.
Persson, Kristin, & Project, Materials. Materials Data on RbCuF3 by Materials Project. United States. doi:10.17188/1267974.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbCuF3 by Materials Project". United States. doi:10.17188/1267974. https://www.osti.gov/servlets/purl/1267974. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267974,
title = {Materials Data on RbCuF3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbCuF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent CuF6 octahedra. All Rb–F bond lengths are 2.93 Å. Cu2+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.07 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Cu2+ atoms.},
doi = {10.17188/1267974},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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