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Title: Materials Data on TlAsPd6 by Materials Project

Abstract

Pd6TlAs crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to ten Pd, one Tl, and three equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.75–3.16 Å. The Pd–Tl bond length is 2.93 Å. All Pd–As bond lengths are 2.73 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to seven Pd, three equivalent Tl, and one As atom. There are three shorter (2.67 Å) and one longer (2.82 Å) Pd–Pd bond lengths. All Pd–Tl bond lengths are 2.88 Å. The Pd–As bond length is 2.48 Å. In the third Pd site, Pd is bonded in a 11-coordinate geometry to eight Pd and three equivalent Tl atoms. All Pd–Tl bond lengths are 3.10 Å. Tl is bonded in a 8-coordinate geometry to fourteen Pd atoms. As is bonded in a body-centered cubic geometry to eight Pd atoms.

Publication Date:
Other Number(s):
mp-1216622
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; TlAsPd6; As-Pd-Tl
OSTI Identifier:
1705493
DOI:
https://doi.org/10.17188/1705493

Citation Formats

The Materials Project. Materials Data on TlAsPd6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705493.
The Materials Project. Materials Data on TlAsPd6 by Materials Project. United States. doi:https://doi.org/10.17188/1705493
The Materials Project. 2020. "Materials Data on TlAsPd6 by Materials Project". United States. doi:https://doi.org/10.17188/1705493. https://www.osti.gov/servlets/purl/1705493. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705493,
title = {Materials Data on TlAsPd6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd6TlAs crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to ten Pd, one Tl, and three equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.75–3.16 Å. The Pd–Tl bond length is 2.93 Å. All Pd–As bond lengths are 2.73 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to seven Pd, three equivalent Tl, and one As atom. There are three shorter (2.67 Å) and one longer (2.82 Å) Pd–Pd bond lengths. All Pd–Tl bond lengths are 2.88 Å. The Pd–As bond length is 2.48 Å. In the third Pd site, Pd is bonded in a 11-coordinate geometry to eight Pd and three equivalent Tl atoms. All Pd–Tl bond lengths are 3.10 Å. Tl is bonded in a 8-coordinate geometry to fourteen Pd atoms. As is bonded in a body-centered cubic geometry to eight Pd atoms.},
doi = {10.17188/1705493},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}