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Title: Materials Data on KRb2VF6 by Materials Project

Abstract

Rb2KVF6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-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 VF6 octahedra. There are a spread of Rb–F bond distances ranging from 3.20–3.25 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent VF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.55 Å. V3+ is bonded to six equivalent F1- atoms to form VF6 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 V–F bond lengths are 1.98 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one V3+ atom.

Publication Date:
Other Number(s):
mp-557411
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; KRb2VF6; F-K-Rb-V
OSTI Identifier:
1269830
DOI:
10.17188/1269830

Citation Formats

The Materials Project. Materials Data on KRb2VF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269830.
The Materials Project. Materials Data on KRb2VF6 by Materials Project. United States. doi:10.17188/1269830.
The Materials Project. 2020. "Materials Data on KRb2VF6 by Materials Project". United States. doi:10.17188/1269830. https://www.osti.gov/servlets/purl/1269830. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269830,
title = {Materials Data on KRb2VF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2KVF6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-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 VF6 octahedra. There are a spread of Rb–F bond distances ranging from 3.20–3.25 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent VF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.55 Å. V3+ is bonded to six equivalent F1- atoms to form VF6 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 V–F bond lengths are 1.98 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one V3+ atom.},
doi = {10.17188/1269830},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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