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Title: Materials Data on Rb2CuNiF6 by Materials Project

Abstract

Rb2NiCuF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-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, faces with four equivalent NiF6 octahedra, and faces with four equivalent CuF6 octahedra. All Rb–F bond lengths are 2.92 Å. Ni2+ is bonded to six equivalent F1- atoms to form NiF6 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 Ni–F bond lengths are 2.02 Å. Cu2+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent NiF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Ni2+, and one Cu2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1113474
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; Rb2CuNiF6; Cu-F-Ni-Rb
OSTI Identifier:
1652592
DOI:
https://doi.org/10.17188/1652592

Citation Formats

The Materials Project. Materials Data on Rb2CuNiF6 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1652592.
The Materials Project. Materials Data on Rb2CuNiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1652592
The Materials Project. 2018. "Materials Data on Rb2CuNiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1652592. https://www.osti.gov/servlets/purl/1652592. Pub date:Wed Aug 15 00:00:00 EDT 2018
@article{osti_1652592,
title = {Materials Data on Rb2CuNiF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2NiCuF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-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, faces with four equivalent NiF6 octahedra, and faces with four equivalent CuF6 octahedra. All Rb–F bond lengths are 2.92 Å. Ni2+ is bonded to six equivalent F1- atoms to form NiF6 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 Ni–F bond lengths are 2.02 Å. Cu2+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent NiF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Ni2+, and one Cu2+ atom.},
doi = {10.17188/1652592},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {8}
}