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Title: Materials Data on Rb5(FeO2)3 by Materials Project

Abstract

Rb5(FeO2)3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four equivalent O2- atoms to form corner-sharing RbO4 tetrahedra. All Rb–O bond lengths are 2.92 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.27 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.36 Å. There are two inequivalent Fe+2.33+ sites. In the first Fe+2.33+ site, Fe+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.88 Å) and two longer (1.94 Å) Fe–O bond length. In the second Fe+2.33+ site, Fe+2.33+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Fe–O bond lengths are 1.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two Fe+2.33+ atoms. In the second O2- site, O2- is bonded to five Rb1+ andmore » one Fe+2.33+ atom to form a mixture of distorted edge and corner-sharing ORb5Fe octahedra. The corner-sharing octahedral tilt angles are 65°.« less

Publication Date:
Other Number(s):
mp-1193332
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; Rb5(FeO2)3; Fe-O-Rb
OSTI Identifier:
1685813
DOI:
https://doi.org/10.17188/1685813

Citation Formats

The Materials Project. Materials Data on Rb5(FeO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685813.
The Materials Project. Materials Data on Rb5(FeO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1685813
The Materials Project. 2020. "Materials Data on Rb5(FeO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1685813. https://www.osti.gov/servlets/purl/1685813. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685813,
title = {Materials Data on Rb5(FeO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb5(FeO2)3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four equivalent O2- atoms to form corner-sharing RbO4 tetrahedra. All Rb–O bond lengths are 2.92 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.27 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.36 Å. There are two inequivalent Fe+2.33+ sites. In the first Fe+2.33+ site, Fe+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.88 Å) and two longer (1.94 Å) Fe–O bond length. In the second Fe+2.33+ site, Fe+2.33+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Fe–O bond lengths are 1.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two Fe+2.33+ atoms. In the second O2- site, O2- is bonded to five Rb1+ and one Fe+2.33+ atom to form a mixture of distorted edge and corner-sharing ORb5Fe octahedra. The corner-sharing octahedral tilt angles are 65°.},
doi = {10.17188/1685813},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}