skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Rb2FeOF5 by Materials Project

Abstract

Rb2FeOF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to two equivalent O and ten F atoms. There are one shorter (3.13 Å) and one longer (3.41 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.86–3.34 Å. Fe is bonded to six F atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Fe–F bond distances ranging from 1.91–2.01 Å. O is bonded in a distorted square co-planar geometry to four equivalent Rb atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the second F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the third F site, F is bonded in a linear geometry to four equivalent Rb and two equivalent Fe atoms.

Publication Date:
Other Number(s):
mp-1209480
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; Rb2FeOF5; F-Fe-O-Rb
OSTI Identifier:
1664266
DOI:
https://doi.org/10.17188/1664266

Citation Formats

The Materials Project. Materials Data on Rb2FeOF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664266.
The Materials Project. Materials Data on Rb2FeOF5 by Materials Project. United States. doi:https://doi.org/10.17188/1664266
The Materials Project. 2020. "Materials Data on Rb2FeOF5 by Materials Project". United States. doi:https://doi.org/10.17188/1664266. https://www.osti.gov/servlets/purl/1664266. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1664266,
title = {Materials Data on Rb2FeOF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2FeOF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to two equivalent O and ten F atoms. There are one shorter (3.13 Å) and one longer (3.41 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.86–3.34 Å. Fe is bonded to six F atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Fe–F bond distances ranging from 1.91–2.01 Å. O is bonded in a distorted square co-planar geometry to four equivalent Rb atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the second F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the third F site, F is bonded in a linear geometry to four equivalent Rb and two equivalent Fe atoms.},
doi = {10.17188/1664266},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}