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Title: Materials Data on FeRhO3 by Materials Project

Abstract

FeRhO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent RhO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.88 Å) and two longer (1.89 Å) Fe–O bond length. Rh3+ is bonded to twelve O2- atoms to form RhO12 cuboctahedra that share corners with twelve equivalent RhO12 cuboctahedra, faces with six equivalent RhO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are four shorter (2.66 Å) and eight longer (2.67 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and four equivalent Rh3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and four equivalent Rh3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-973648
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; FeRhO3; Fe-O-Rh
OSTI Identifier:
1314172
DOI:
https://doi.org/10.17188/1314172

Citation Formats

The Materials Project. Materials Data on FeRhO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314172.
The Materials Project. Materials Data on FeRhO3 by Materials Project. United States. doi:https://doi.org/10.17188/1314172
The Materials Project. 2020. "Materials Data on FeRhO3 by Materials Project". United States. doi:https://doi.org/10.17188/1314172. https://www.osti.gov/servlets/purl/1314172. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314172,
title = {Materials Data on FeRhO3 by Materials Project},
author = {The Materials Project},
abstractNote = {FeRhO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent RhO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.88 Å) and two longer (1.89 Å) Fe–O bond length. Rh3+ is bonded to twelve O2- atoms to form RhO12 cuboctahedra that share corners with twelve equivalent RhO12 cuboctahedra, faces with six equivalent RhO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are four shorter (2.66 Å) and eight longer (2.67 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and four equivalent Rh3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and four equivalent Rh3+ atoms.},
doi = {10.17188/1314172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}