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Title: Materials Data on TlPPd5 by Materials Project

Abstract

Pd5TlP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to eight equivalent Pd and four equivalent Tl atoms. All Pd–Pd bond lengths are 2.94 Å. All Pd–Tl bond lengths are 2.83 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent Tl, and two equivalent P atoms. There are one shorter (2.80 Å) and four longer (2.83 Å) Pd–Pd bond lengths. Both Pd–Tl bond lengths are 2.94 Å. Both Pd–P bond lengths are 2.44 Å. Tl is bonded to twelve Pd atoms to form a mixture of face and corner-sharing TlPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1025348
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TlPPd5; P-Pd-Tl
OSTI Identifier:
1355486
DOI:
https://doi.org/10.17188/1355486

Citation Formats

The Materials Project. Materials Data on TlPPd5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355486.
The Materials Project. Materials Data on TlPPd5 by Materials Project. United States. doi:https://doi.org/10.17188/1355486
The Materials Project. 2020. "Materials Data on TlPPd5 by Materials Project". United States. doi:https://doi.org/10.17188/1355486. https://www.osti.gov/servlets/purl/1355486. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1355486,
title = {Materials Data on TlPPd5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd5TlP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to eight equivalent Pd and four equivalent Tl atoms. All Pd–Pd bond lengths are 2.94 Å. All Pd–Tl bond lengths are 2.83 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent Tl, and two equivalent P atoms. There are one shorter (2.80 Å) and four longer (2.83 Å) Pd–Pd bond lengths. Both Pd–Tl bond lengths are 2.94 Å. Both Pd–P bond lengths are 2.44 Å. Tl is bonded to twelve Pd atoms to form a mixture of face and corner-sharing TlPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.},
doi = {10.17188/1355486},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}