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Title: Materials Data on PdPt3 by Materials Project

Abstract

Pt3Pd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Pd2+ atoms to form PtPd4Pt8 cuboctahedra that share corners with twelve equivalent PtPd4Pt8 cuboctahedra, edges with eight equivalent PdPt12 cuboctahedra, edges with sixteen PtPd4Pt8 cuboctahedra, faces with four equivalent PdPt12 cuboctahedra, and faces with fourteen PtPd4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.81 Å. All Pt–Pd bond lengths are 2.81 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Pd2+ atoms to form PtPd4Pt8 cuboctahedra that share corners with four equivalent PtPd4Pt8 cuboctahedra, corners with eight equivalent PdPt12 cuboctahedra, edges with twenty-four PtPd4Pt8 cuboctahedra, faces with six equivalent PdPt12 cuboctahedra, and faces with twelve PtPd4Pt8 cuboctahedra. All Pt–Pd bond lengths are 2.81 Å. Pd2+ is bonded to twelve Pt+0.67- atoms to form PdPt12 cuboctahedra that share corners with four equivalent PdPt12 cuboctahedra, corners with eight equivalent PtPd4Pt8 cuboctahedra, edges with eight equivalent PdPt12 cuboctahedra, edges with sixteen equivalent PtPd4Pt8 cuboctahedra, faces with four equivalent PdPt12 cuboctahedra, and faces with fourteen PtPd4Pt8 cuboctahedra.

Publication Date:
Other Number(s):
mp-1186450
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; PdPt3; Pd-Pt
OSTI Identifier:
1723250
DOI:
https://doi.org/10.17188/1723250

Citation Formats

The Materials Project. Materials Data on PdPt3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723250.
The Materials Project. Materials Data on PdPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1723250
The Materials Project. 2020. "Materials Data on PdPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1723250. https://www.osti.gov/servlets/purl/1723250. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1723250,
title = {Materials Data on PdPt3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt3Pd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Pd2+ atoms to form PtPd4Pt8 cuboctahedra that share corners with twelve equivalent PtPd4Pt8 cuboctahedra, edges with eight equivalent PdPt12 cuboctahedra, edges with sixteen PtPd4Pt8 cuboctahedra, faces with four equivalent PdPt12 cuboctahedra, and faces with fourteen PtPd4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.81 Å. All Pt–Pd bond lengths are 2.81 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Pd2+ atoms to form PtPd4Pt8 cuboctahedra that share corners with four equivalent PtPd4Pt8 cuboctahedra, corners with eight equivalent PdPt12 cuboctahedra, edges with twenty-four PtPd4Pt8 cuboctahedra, faces with six equivalent PdPt12 cuboctahedra, and faces with twelve PtPd4Pt8 cuboctahedra. All Pt–Pd bond lengths are 2.81 Å. Pd2+ is bonded to twelve Pt+0.67- atoms to form PdPt12 cuboctahedra that share corners with four equivalent PdPt12 cuboctahedra, corners with eight equivalent PtPd4Pt8 cuboctahedra, edges with eight equivalent PdPt12 cuboctahedra, edges with sixteen equivalent PtPd4Pt8 cuboctahedra, faces with four equivalent PdPt12 cuboctahedra, and faces with fourteen PtPd4Pt8 cuboctahedra.},
doi = {10.17188/1723250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}