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Title: Materials Data on TbSmO3 by Materials Project

Abstract

TbSmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–49°. There are a spread of Tb–O bond distances ranging from 2.26–2.34 Å. Sm3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.84 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OTb2Sm2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and two equivalent Sm3+ atoms.

Publication Date:
Other Number(s):
mp-756118
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; TbSmO3; O-Sm-Tb
OSTI Identifier:
1290354
DOI:
10.17188/1290354

Citation Formats

The Materials Project. Materials Data on TbSmO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290354.
The Materials Project. Materials Data on TbSmO3 by Materials Project. United States. doi:10.17188/1290354.
The Materials Project. 2020. "Materials Data on TbSmO3 by Materials Project". United States. doi:10.17188/1290354. https://www.osti.gov/servlets/purl/1290354. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290354,
title = {Materials Data on TbSmO3 by Materials Project},
author = {The Materials Project},
abstractNote = {TbSmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–49°. There are a spread of Tb–O bond distances ranging from 2.26–2.34 Å. Sm3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.84 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OTb2Sm2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and two equivalent Sm3+ atoms.},
doi = {10.17188/1290354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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