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Title: Materials Data on TmRhO3 by Materials Project

Abstract

TmRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.71 Å. Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are two shorter (2.07 Å) and four longer (2.08 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Tm3+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Rh3+ atoms to form distorted corner-sharing OTm2Rh2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-1207705
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; TmRhO3; O-Rh-Tm
OSTI Identifier:
1723148
DOI:
https://doi.org/10.17188/1723148

Citation Formats

The Materials Project. Materials Data on TmRhO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723148.
The Materials Project. Materials Data on TmRhO3 by Materials Project. United States. doi:https://doi.org/10.17188/1723148
The Materials Project. 2020. "Materials Data on TmRhO3 by Materials Project". United States. doi:https://doi.org/10.17188/1723148. https://www.osti.gov/servlets/purl/1723148. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1723148,
title = {Materials Data on TmRhO3 by Materials Project},
author = {The Materials Project},
abstractNote = {TmRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.71 Å. Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are two shorter (2.07 Å) and four longer (2.08 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Tm3+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Rh3+ atoms to form distorted corner-sharing OTm2Rh2 trigonal pyramids.},
doi = {10.17188/1723148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}