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Title: Materials Data on Sm(Tl3Te2)3 by Materials Project

Abstract

Tl9SmTe6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sm3+ is bonded to six Te2- atoms to form SmTe6 octahedra that share corners with six equivalent TlTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are two shorter (3.19 Å) and four longer (3.22 Å) Sm–Te bond lengths. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to six Te2- atoms to form TlTe6 octahedra that share corners with six equivalent SmTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are four shorter (3.55 Å) and two longer (3.58 Å) Tl–Te bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.24–3.70 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 1-coordinate geometry to one Sm3+ and nine Tl1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to one Sm3+ and seven Tl1+ atoms.

Publication Date:
Other Number(s):
mp-1188848
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; Sm(Tl3Te2)3; Sm-Te-Tl
OSTI Identifier:
1686032
DOI:
https://doi.org/10.17188/1686032

Citation Formats

The Materials Project. Materials Data on Sm(Tl3Te2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1686032.
The Materials Project. Materials Data on Sm(Tl3Te2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1686032
The Materials Project. 2019. "Materials Data on Sm(Tl3Te2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1686032. https://www.osti.gov/servlets/purl/1686032. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1686032,
title = {Materials Data on Sm(Tl3Te2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl9SmTe6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sm3+ is bonded to six Te2- atoms to form SmTe6 octahedra that share corners with six equivalent TlTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are two shorter (3.19 Å) and four longer (3.22 Å) Sm–Te bond lengths. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to six Te2- atoms to form TlTe6 octahedra that share corners with six equivalent SmTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are four shorter (3.55 Å) and two longer (3.58 Å) Tl–Te bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.24–3.70 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 1-coordinate geometry to one Sm3+ and nine Tl1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to one Sm3+ and seven Tl1+ atoms.},
doi = {10.17188/1686032},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}