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Title: Materials Data on KRb2MoF6 by Materials Project

Abstract

Rb2KMoF6 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 KF6 octahedra, and faces with four equivalent MoF6 octahedra. All Rb–F bond lengths are 3.29 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent MoF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.54 Å. Mo3+ is bonded to six equivalent F1- atoms to form MoF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–F bond lengths are 2.10 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one Mo3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554168
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; KRb2MoF6; F-K-Mo-Rb
OSTI Identifier:
1267776
DOI:
10.17188/1267776

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KRb2MoF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267776.
Persson, Kristin, & Project, Materials. Materials Data on KRb2MoF6 by Materials Project. United States. doi:10.17188/1267776.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KRb2MoF6 by Materials Project". United States. doi:10.17188/1267776. https://www.osti.gov/servlets/purl/1267776. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267776,
title = {Materials Data on KRb2MoF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2KMoF6 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 KF6 octahedra, and faces with four equivalent MoF6 octahedra. All Rb–F bond lengths are 3.29 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent MoF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.54 Å. Mo3+ is bonded to six equivalent F1- atoms to form MoF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–F bond lengths are 2.10 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one Mo3+ atom.},
doi = {10.17188/1267776},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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