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Title: Materials Data on Rh2O3 by Materials Project

Abstract

Rh2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There are a spread of Rh–O bond distances ranging from 2.04–2.09 Å. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Rh–O bond distances ranging from 2.05–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 trigonal pyramids. In the second O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 trigonal pyramids. In the third O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 tetrahedra.

Publication Date:
Other Number(s):
mp-613620
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; Rh2O3; O-Rh
OSTI Identifier:
1277754
DOI:
https://doi.org/10.17188/1277754

Citation Formats

The Materials Project. Materials Data on Rh2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277754.
The Materials Project. Materials Data on Rh2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1277754
The Materials Project. 2020. "Materials Data on Rh2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1277754. https://www.osti.gov/servlets/purl/1277754. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1277754,
title = {Materials Data on Rh2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rh2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There are a spread of Rh–O bond distances ranging from 2.04–2.09 Å. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Rh–O bond distances ranging from 2.05–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 trigonal pyramids. In the second O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 trigonal pyramids. In the third O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 tetrahedra.},
doi = {10.17188/1277754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}