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Title: Materials Data on CeRh2O5 by Materials Project

Abstract

CeRh2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.22–2.47 Å. Rh+3.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Rh–O bond distances ranging from 2.03–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ce3+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted corner and edge-sharing OCeRh3 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Rh+3.50+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Ce3+ and two equivalent Rh+3.50+ atoms.

Publication Date:
Other Number(s):
mp-1200659
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; CeRh2O5; Ce-O-Rh
OSTI Identifier:
1749460
DOI:
https://doi.org/10.17188/1749460

Citation Formats

The Materials Project. Materials Data on CeRh2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749460.
The Materials Project. Materials Data on CeRh2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1749460
The Materials Project. 2020. "Materials Data on CeRh2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1749460. https://www.osti.gov/servlets/purl/1749460. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749460,
title = {Materials Data on CeRh2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {CeRh2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.22–2.47 Å. Rh+3.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Rh–O bond distances ranging from 2.03–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ce3+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted corner and edge-sharing OCeRh3 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Rh+3.50+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Ce3+ and two equivalent Rh+3.50+ atoms.},
doi = {10.17188/1749460},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}