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Title: Materials Data on TmTlO3 by Materials Project

Abstract

TmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Tm–O bond distances ranging from 2.21–2.31 Å. Tl3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.20–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Tl3+ atoms to form distorted corner-sharing OTm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Tl3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1101279
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; TmTlO3; O-Tl-Tm
OSTI Identifier:
1682164
DOI:
https://doi.org/10.17188/1682164

Citation Formats

The Materials Project. Materials Data on TmTlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682164.
The Materials Project. Materials Data on TmTlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1682164
The Materials Project. 2020. "Materials Data on TmTlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1682164. https://www.osti.gov/servlets/purl/1682164. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1682164,
title = {Materials Data on TmTlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {TmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Tm–O bond distances ranging from 2.21–2.31 Å. Tl3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.20–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Tl3+ atoms to form distorted corner-sharing OTm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Tl3+ atom.},
doi = {10.17188/1682164},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}