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Title: Materials Data on TlPd3O4 by Materials Project

Abstract

TlPd3O4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a square co-planar geometry to two equivalent Tl and four equivalent O atoms. Both Pd–Tl bond lengths are 3.45 Å. All Pd–O bond lengths are 2.04 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to twelve equivalent Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra and edges with twenty-four equivalent OTlPd3 tetrahedra. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Tl–O bond lengths are 2.39 Å. O is bonded to three equivalent Pd and one Tl atom to form OTlPd3 tetrahedra that share corners with ten equivalent OTlPd3 tetrahedra, edges with three equivalent TlPd12 cuboctahedra, and edges with three equivalent OTlPd3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-5478
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; TlPd3O4; O-Pd-Tl
OSTI Identifier:
1267317
DOI:
https://doi.org/10.17188/1267317

Citation Formats

The Materials Project. Materials Data on TlPd3O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267317.
The Materials Project. Materials Data on TlPd3O4 by Materials Project. United States. doi:https://doi.org/10.17188/1267317
The Materials Project. 2020. "Materials Data on TlPd3O4 by Materials Project". United States. doi:https://doi.org/10.17188/1267317. https://www.osti.gov/servlets/purl/1267317. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1267317,
title = {Materials Data on TlPd3O4 by Materials Project},
author = {The Materials Project},
abstractNote = {TlPd3O4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a square co-planar geometry to two equivalent Tl and four equivalent O atoms. Both Pd–Tl bond lengths are 3.45 Å. All Pd–O bond lengths are 2.04 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to twelve equivalent Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra and edges with twenty-four equivalent OTlPd3 tetrahedra. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Tl–O bond lengths are 2.39 Å. O is bonded to three equivalent Pd and one Tl atom to form OTlPd3 tetrahedra that share corners with ten equivalent OTlPd3 tetrahedra, edges with three equivalent TlPd12 cuboctahedra, and edges with three equivalent OTlPd3 tetrahedra.},
doi = {10.17188/1267317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}