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Title: Materials Data on SmTlO3 by Materials Project

Abstract

SmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.65 Å. Tl3+ is bonded to six O2- atoms to form corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of Tl–O bond distances ranging from 2.21–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-754787
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; SmTlO3; O-Sm-Tl
OSTI Identifier:
1289553
DOI:
https://doi.org/10.17188/1289553

Citation Formats

The Materials Project. Materials Data on SmTlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289553.
The Materials Project. Materials Data on SmTlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289553
The Materials Project. 2020. "Materials Data on SmTlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289553. https://www.osti.gov/servlets/purl/1289553. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289553,
title = {Materials Data on SmTlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.65 Å. Tl3+ is bonded to six O2- atoms to form corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of Tl–O bond distances ranging from 2.21–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids.},
doi = {10.17188/1289553},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}