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Title: Materials Data on SmErO3 by Materials Project

Abstract

ErSmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Er–O bond distances ranging from 2.22–2.30 Å. Sm3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.73 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OSm2Er2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Sm3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-754203
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; SmErO3; Er-O-Sm
OSTI Identifier:
1289295
DOI:
https://doi.org/10.17188/1289295

Citation Formats

The Materials Project. Materials Data on SmErO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289295.
The Materials Project. Materials Data on SmErO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289295
The Materials Project. 2020. "Materials Data on SmErO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289295. https://www.osti.gov/servlets/purl/1289295. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1289295,
title = {Materials Data on SmErO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ErSmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Er–O bond distances ranging from 2.22–2.30 Å. Sm3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.73 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OSm2Er2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Sm3+ atoms.},
doi = {10.17188/1289295},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}