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Title: Materials Data on Rb3FeO3 by Materials Project

Abstract

Rb3FeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first 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 2.78–3.07 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra and edges with two equivalent RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.68–3.12 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.05 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with two equivalent FeO4 tetrahedra and corners with four equivalent RbO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.89–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Fe3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Fe3+ atom.more » In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Fe3+ atoms.« less

Publication Date:
Other Number(s):
mp-1101417
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; Rb3FeO3; Fe-O-Rb
OSTI Identifier:
1705487
DOI:
https://doi.org/10.17188/1705487

Citation Formats

The Materials Project. Materials Data on Rb3FeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705487.
The Materials Project. Materials Data on Rb3FeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1705487
The Materials Project. 2020. "Materials Data on Rb3FeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1705487. https://www.osti.gov/servlets/purl/1705487. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1705487,
title = {Materials Data on Rb3FeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3FeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first 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 2.78–3.07 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra and edges with two equivalent RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.68–3.12 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.05 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with two equivalent FeO4 tetrahedra and corners with four equivalent RbO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.89–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Fe3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Fe3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Fe3+ atoms.},
doi = {10.17188/1705487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}