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Title: Materials Data on Th3Tl5 by Materials Project

Abstract

Th3Tl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to nine Tl atoms. There are a spread of Th–Tl bond distances ranging from 3.18–3.67 Å. In the second Th site, Th is bonded in a 10-coordinate geometry to ten Tl atoms. There are a spread of Th–Tl bond distances ranging from 3.30–3.55 Å. There are three inequivalent Tl sites. In the first Tl site, Tl is bonded in a 5-coordinate geometry to five Th and six Tl atoms. There are four shorter (3.28 Å) and two longer (3.49 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 1-coordinate geometry to six Th and four Tl atoms. There are two shorter (3.17 Å) and one longer (3.52 Å) Tl–Tl bond lengths. In the third Tl site, Tl is bonded in a 10-coordinate geometry to six Th and four Tl atoms.

Publication Date:
Other Number(s):
mp-1106034
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; Th3Tl5; Th-Tl
OSTI Identifier:
1652072
DOI:
https://doi.org/10.17188/1652072

Citation Formats

The Materials Project. Materials Data on Th3Tl5 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1652072.
The Materials Project. Materials Data on Th3Tl5 by Materials Project. United States. doi:https://doi.org/10.17188/1652072
The Materials Project. 2018. "Materials Data on Th3Tl5 by Materials Project". United States. doi:https://doi.org/10.17188/1652072. https://www.osti.gov/servlets/purl/1652072. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1652072,
title = {Materials Data on Th3Tl5 by Materials Project},
author = {The Materials Project},
abstractNote = {Th3Tl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to nine Tl atoms. There are a spread of Th–Tl bond distances ranging from 3.18–3.67 Å. In the second Th site, Th is bonded in a 10-coordinate geometry to ten Tl atoms. There are a spread of Th–Tl bond distances ranging from 3.30–3.55 Å. There are three inequivalent Tl sites. In the first Tl site, Tl is bonded in a 5-coordinate geometry to five Th and six Tl atoms. There are four shorter (3.28 Å) and two longer (3.49 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 1-coordinate geometry to six Th and four Tl atoms. There are two shorter (3.17 Å) and one longer (3.52 Å) Tl–Tl bond lengths. In the third Tl site, Tl is bonded in a 10-coordinate geometry to six Th and four Tl atoms.},
doi = {10.17188/1652072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}