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Title: Materials Data on RbFeF4 by Materials Project

Abstract

RbFeF4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. All Rb–F bond lengths are 3.06 Å. Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is two shorter (1.91 Å) and four longer (1.99 Å) Fe–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Fe3+ atom.

Publication Date:
Other Number(s):
mp-556927
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; RbFeF4; F-Fe-Rb
OSTI Identifier:
1269614
DOI:
10.17188/1269614

Citation Formats

The Materials Project. Materials Data on RbFeF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269614.
The Materials Project. Materials Data on RbFeF4 by Materials Project. United States. doi:10.17188/1269614.
The Materials Project. 2020. "Materials Data on RbFeF4 by Materials Project". United States. doi:10.17188/1269614. https://www.osti.gov/servlets/purl/1269614. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1269614,
title = {Materials Data on RbFeF4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbFeF4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. All Rb–F bond lengths are 3.06 Å. Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is two shorter (1.91 Å) and four longer (1.99 Å) Fe–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Fe3+ atom.},
doi = {10.17188/1269614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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