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Title: Materials Data on NiPd3 by Materials Project

Abstract

Pd3Ni is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Ni atoms to form PdNi4Pd8 cuboctahedra that share corners with four equivalent NiPd12 cuboctahedra, corners with fourteen equivalent PdNi4Pd8 cuboctahedra, edges with six equivalent NiPd12 cuboctahedra, edges with twelve equivalent PdNi4Pd8 cuboctahedra, faces with four equivalent NiPd12 cuboctahedra, and faces with sixteen equivalent PdNi4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.65–2.74 Å. There are two shorter (2.69 Å) and two longer (2.70 Å) Pd–Ni bond lengths. Ni is bonded to twelve equivalent Pd atoms to form NiPd12 cuboctahedra that share corners with six equivalent NiPd12 cuboctahedra, corners with twelve equivalent PdNi4Pd8 cuboctahedra, edges with eighteen equivalent PdNi4Pd8 cuboctahedra, faces with eight equivalent NiPd12 cuboctahedra, and faces with twelve equivalent PdNi4Pd8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-973983
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; NiPd3; Ni-Pd
OSTI Identifier:
1314386
DOI:
https://doi.org/10.17188/1314386

Citation Formats

The Materials Project. Materials Data on NiPd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314386.
The Materials Project. Materials Data on NiPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1314386
The Materials Project. 2020. "Materials Data on NiPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1314386. https://www.osti.gov/servlets/purl/1314386. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1314386,
title = {Materials Data on NiPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3Ni is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Ni atoms to form PdNi4Pd8 cuboctahedra that share corners with four equivalent NiPd12 cuboctahedra, corners with fourteen equivalent PdNi4Pd8 cuboctahedra, edges with six equivalent NiPd12 cuboctahedra, edges with twelve equivalent PdNi4Pd8 cuboctahedra, faces with four equivalent NiPd12 cuboctahedra, and faces with sixteen equivalent PdNi4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.65–2.74 Å. There are two shorter (2.69 Å) and two longer (2.70 Å) Pd–Ni bond lengths. Ni is bonded to twelve equivalent Pd atoms to form NiPd12 cuboctahedra that share corners with six equivalent NiPd12 cuboctahedra, corners with twelve equivalent PdNi4Pd8 cuboctahedra, edges with eighteen equivalent PdNi4Pd8 cuboctahedra, faces with eight equivalent NiPd12 cuboctahedra, and faces with twelve equivalent PdNi4Pd8 cuboctahedra.},
doi = {10.17188/1314386},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}