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Title: Materials Data on KRb2InF6 by Materials Project

Abstract

Rb2KInF6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.88–3.27 Å. K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of K–F bond distances ranging from 2.61–2.63 Å. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. All In–F bond lengths are 2.12 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one K1+, and one In3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one K1+, and one In3+ atom. In the third F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one K1+, and one In3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1211320
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; KRb2InF6; F-In-K-Rb
OSTI Identifier:
1680813
DOI:
https://doi.org/10.17188/1680813

Citation Formats

The Materials Project. Materials Data on KRb2InF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680813.
The Materials Project. Materials Data on KRb2InF6 by Materials Project. United States. doi:https://doi.org/10.17188/1680813
The Materials Project. 2020. "Materials Data on KRb2InF6 by Materials Project". United States. doi:https://doi.org/10.17188/1680813. https://www.osti.gov/servlets/purl/1680813. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1680813,
title = {Materials Data on KRb2InF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2KInF6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.88–3.27 Å. K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of K–F bond distances ranging from 2.61–2.63 Å. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. All In–F bond lengths are 2.12 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one K1+, and one In3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one K1+, and one In3+ atom. In the third F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one K1+, and one In3+ atom.},
doi = {10.17188/1680813},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}