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Title: Materials Data on LaSmO3 by Materials Project

Abstract

SmLaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form corner-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Sm–O bond distances ranging from 2.32–2.40 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-778450
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; LaSmO3; La-O-Sm
OSTI Identifier:
1305576
DOI:
10.17188/1305576

Citation Formats

The Materials Project. Materials Data on LaSmO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305576.
The Materials Project. Materials Data on LaSmO3 by Materials Project. United States. doi:10.17188/1305576.
The Materials Project. 2020. "Materials Data on LaSmO3 by Materials Project". United States. doi:10.17188/1305576. https://www.osti.gov/servlets/purl/1305576. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1305576,
title = {Materials Data on LaSmO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmLaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form corner-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Sm–O bond distances ranging from 2.32–2.40 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 trigonal pyramids.},
doi = {10.17188/1305576},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

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