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Title: Materials Data on Rb6Fe2O5 by Materials Project

Abstract

Rb6Fe2O5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted edge-sharing RbO4 trigonal pyramids. There are a spread of Rb–O bond distances ranging from 2.78–2.96 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.11 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (3.00 Å) and two longer (3.31 Å) Rb–O bond lengths. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.29 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.90 Å) and one longer (1.95 Å) Fe–O bond length. In the second Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.95 Å)more » Fe–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Fe2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Fe2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two Fe2+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-33816
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; Rb6Fe2O5; Fe-O-Rb
OSTI Identifier:
1206664
DOI:
10.17188/1206664

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb6Fe2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206664.
Persson, Kristin, & Project, Materials. Materials Data on Rb6Fe2O5 by Materials Project. United States. doi:10.17188/1206664.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb6Fe2O5 by Materials Project". United States. doi:10.17188/1206664. https://www.osti.gov/servlets/purl/1206664. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1206664,
title = {Materials Data on Rb6Fe2O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb6Fe2O5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted edge-sharing RbO4 trigonal pyramids. There are a spread of Rb–O bond distances ranging from 2.78–2.96 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.11 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (3.00 Å) and two longer (3.31 Å) Rb–O bond lengths. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.29 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.90 Å) and one longer (1.95 Å) Fe–O bond length. In the second Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.95 Å) Fe–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Fe2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Fe2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two Fe2+ atoms.},
doi = {10.17188/1206664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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