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Title: Materials Data on LuTlTe2 by Materials Project

Abstract

LuTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Te2- atoms to form LuTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent LuTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Lu–Te bond lengths are 3.05 Å. Tl1+ is bonded to six equivalent Te2- atoms to form distorted TlTe6 octahedra that share corners with six equivalent LuTe6 octahedra, edges with six equivalent LuTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Te bond lengths are 3.49 Å. Te2- is bonded to three equivalent Lu3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing TeLu3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1017508
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; LuTlTe2; Lu-Te-Tl
OSTI Identifier:
1349840
DOI:
https://doi.org/10.17188/1349840

Citation Formats

The Materials Project. Materials Data on LuTlTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349840.
The Materials Project. Materials Data on LuTlTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1349840
The Materials Project. 2020. "Materials Data on LuTlTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1349840. https://www.osti.gov/servlets/purl/1349840. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1349840,
title = {Materials Data on LuTlTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {LuTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Te2- atoms to form LuTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent LuTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Lu–Te bond lengths are 3.05 Å. Tl1+ is bonded to six equivalent Te2- atoms to form distorted TlTe6 octahedra that share corners with six equivalent LuTe6 octahedra, edges with six equivalent LuTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Te bond lengths are 3.49 Å. Te2- is bonded to three equivalent Lu3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing TeLu3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1349840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}