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Title: Materials Data on Rb2NaNiF6 by Materials Project

Abstract

Rb2NaNiF6 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 NaF6 octahedra, and faces with four equivalent NiF6 octahedra. All Rb–F bond lengths are 3.02 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 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 Na–F bond lengths are 2.33 Å. Ni3+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–F bond lengths are 1.93 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Ni3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556353
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; Rb2NaNiF6; F-Na-Ni-Rb
OSTI Identifier:
1269305
DOI:
10.17188/1269305

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2NaNiF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269305.
Persson, Kristin, & Project, Materials. Materials Data on Rb2NaNiF6 by Materials Project. United States. doi:10.17188/1269305.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2NaNiF6 by Materials Project". United States. doi:10.17188/1269305. https://www.osti.gov/servlets/purl/1269305. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269305,
title = {Materials Data on Rb2NaNiF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2NaNiF6 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 NaF6 octahedra, and faces with four equivalent NiF6 octahedra. All Rb–F bond lengths are 3.02 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 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 Na–F bond lengths are 2.33 Å. Ni3+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–F bond lengths are 1.93 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Ni3+ atom.},
doi = {10.17188/1269305},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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