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Title: Materials Data on ZnPd3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313665· OSTI ID:1313665

Pd3Zn is Uranium Silicide-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 Zn atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with four equivalent ZnPd12 cuboctahedra, corners with fourteen equivalent PdZn4Pd8 cuboctahedra, edges with six equivalent ZnPd12 cuboctahedra, edges with twelve equivalent PdZn4Pd8 cuboctahedra, faces with four equivalent ZnPd12 cuboctahedra, and faces with sixteen equivalent PdZn4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.76–2.82 Å. There are two shorter (2.76 Å) and two longer (2.79 Å) Pd–Zn bond lengths. Zn is bonded to twelve equivalent Pd atoms to form ZnPd12 cuboctahedra that share corners with six equivalent ZnPd12 cuboctahedra, corners with twelve equivalent PdZn4Pd8 cuboctahedra, edges with eighteen equivalent PdZn4Pd8 cuboctahedra, faces with eight equivalent ZnPd12 cuboctahedra, and faces with twelve equivalent PdZn4Pd8 cuboctahedra.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1313665
Report Number(s):
mp-971909
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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