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Title: Materials Data on Rb2FeF5 by Materials Project

Abstract

Rb2FeF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.85–3.13 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.91–3.23 Å. Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–F bond distances ranging from 1.92–2.08 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Fe3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four Rb1+ and one Fe3+ atom. In the third F1- site, F1- is bonded in a linear geometry to four Rb1+ and two equivalent Fe3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Fe3+ atom.

Publication Date:
Other Number(s):
mp-555378
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; Rb2FeF5; F-Fe-Rb
OSTI Identifier:
1268774
DOI:
10.17188/1268774

Citation Formats

The Materials Project. Materials Data on Rb2FeF5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1268774.
The Materials Project. Materials Data on Rb2FeF5 by Materials Project. United States. doi:10.17188/1268774.
The Materials Project. 2017. "Materials Data on Rb2FeF5 by Materials Project". United States. doi:10.17188/1268774. https://www.osti.gov/servlets/purl/1268774. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1268774,
title = {Materials Data on Rb2FeF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2FeF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.85–3.13 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.91–3.23 Å. Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–F bond distances ranging from 1.92–2.08 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Fe3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four Rb1+ and one Fe3+ atom. In the third F1- site, F1- is bonded in a linear geometry to four Rb1+ and two equivalent Fe3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Fe3+ atom.},
doi = {10.17188/1268774},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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