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Title: Materials Data on TlPd3 by Materials Project

Abstract

Pd3Tl is Uranium Silicide structured and 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 to eight equivalent Pd and four equivalent Tl atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with twelve equivalent PdTl4Pd8 cuboctahedra, edges with eight equivalent TlPd12 cuboctahedra, edges with sixteen equivalent PdTl4Pd8 cuboctahedra, faces with four equivalent TlPd12 cuboctahedra, and faces with fourteen PdTl4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–Tl bond lengths are 2.89 Å. In the second Pd site, Pd is bonded to eight Pd and four equivalent Tl atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with twelve equivalent PdTl4Pd8 cuboctahedra, edges with eight equivalent TlPd12 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, faces with four equivalent TlPd12 cuboctahedra, and faces with fourteen PdTl4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. All Pd–Tl bond lengths are 2.90 Å. Tl is bonded to twelve Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra, edges with twenty-four PdTl4Pd8 cuboctahedra, faces with six equivalent TlPd12 cuboctahedra, and faces with twelve PdTl4Pd8 cuboctahedra.

Publication Date:
Other Number(s):
mp-569785
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; TlPd3; Pd-Tl
OSTI Identifier:
1275254
DOI:
10.17188/1275254

Citation Formats

The Materials Project. Materials Data on TlPd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275254.
The Materials Project. Materials Data on TlPd3 by Materials Project. United States. doi:10.17188/1275254.
The Materials Project. 2020. "Materials Data on TlPd3 by Materials Project". United States. doi:10.17188/1275254. https://www.osti.gov/servlets/purl/1275254. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275254,
title = {Materials Data on TlPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3Tl is Uranium Silicide structured and 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 to eight equivalent Pd and four equivalent Tl atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with twelve equivalent PdTl4Pd8 cuboctahedra, edges with eight equivalent TlPd12 cuboctahedra, edges with sixteen equivalent PdTl4Pd8 cuboctahedra, faces with four equivalent TlPd12 cuboctahedra, and faces with fourteen PdTl4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–Tl bond lengths are 2.89 Å. In the second Pd site, Pd is bonded to eight Pd and four equivalent Tl atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with twelve equivalent PdTl4Pd8 cuboctahedra, edges with eight equivalent TlPd12 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, faces with four equivalent TlPd12 cuboctahedra, and faces with fourteen PdTl4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. All Pd–Tl bond lengths are 2.90 Å. Tl is bonded to twelve Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra, edges with twenty-four PdTl4Pd8 cuboctahedra, faces with six equivalent TlPd12 cuboctahedra, and faces with twelve PdTl4Pd8 cuboctahedra.},
doi = {10.17188/1275254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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