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Title: Materials Data on La5TlTe8 by Materials Project

Abstract

La5TlTe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to eight Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with two equivalent TlTe8 hexagonal bipyramids, corners with six LaTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, faces with two equivalent TlTe8 hexagonal bipyramids, and faces with six LaTe8 hexagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.24–3.51 Å. In the second La3+ site, La3+ is bonded to eight Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with eight equivalent LaTe8 hexagonal bipyramids, edges with four equivalent TlTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.29 Å) and four longer (3.41 Å) La–Te bond lengths. Tl1+ is bonded to eight Te2- atoms to form distorted TlTe8 hexagonal bipyramids that share corners with eight equivalent LaTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.39 Å) and four longer (3.54 Å) Tl–Te bond lengths. There are two inequivalent Te2- sites. In the firstmore » Te2- site, Te2- is bonded in a 6-coordinate geometry to five La3+ and one Tl1+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to five La3+ and one Tl1+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35907
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; La5TlTe8; La-Te-Tl
OSTI Identifier:
1207097
DOI:
10.17188/1207097

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La5TlTe8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207097.
Persson, Kristin, & Project, Materials. Materials Data on La5TlTe8 by Materials Project. United States. doi:10.17188/1207097.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on La5TlTe8 by Materials Project". United States. doi:10.17188/1207097. https://www.osti.gov/servlets/purl/1207097. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1207097,
title = {Materials Data on La5TlTe8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La5TlTe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to eight Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with two equivalent TlTe8 hexagonal bipyramids, corners with six LaTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, faces with two equivalent TlTe8 hexagonal bipyramids, and faces with six LaTe8 hexagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.24–3.51 Å. In the second La3+ site, La3+ is bonded to eight Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with eight equivalent LaTe8 hexagonal bipyramids, edges with four equivalent TlTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.29 Å) and four longer (3.41 Å) La–Te bond lengths. Tl1+ is bonded to eight Te2- atoms to form distorted TlTe8 hexagonal bipyramids that share corners with eight equivalent LaTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.39 Å) and four longer (3.54 Å) Tl–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to five La3+ and one Tl1+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to five La3+ and one Tl1+ atom.},
doi = {10.17188/1207097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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