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Title: Materials Data on CdPd3 by Materials Project

Abstract

Pd3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with twelve equivalent PdCd4Pd8 cuboctahedra, edges with eight equivalent CdPd12 cuboctahedra, edges with sixteen PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with fourteen PdCd4Pd8 cuboctahedra. There are four shorter (2.86 Å) and four longer (2.87 Å) Pd–Pd bond lengths. All Pd–Cd bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent PdCd4Pd8 cuboctahedra, corners with eight equivalent CdPd12 cuboctahedra, edges with twenty-four PdCd4Pd8 cuboctahedra, faces with six equivalent CdPd12 cuboctahedra, and faces with twelve PdCd4Pd8 cuboctahedra. All Pd–Cd bond lengths are 2.87 Å. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, corners with eight equivalent PdCd4Pd8 cuboctahedra, edges with eight equivalent CdPd12 cuboctahedra, edges with sixteen equivalent PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, andmore » faces with fourteen PdCd4Pd8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-865985
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; CdPd3; Cd-Pd
OSTI Identifier:
1311156
DOI:
https://doi.org/10.17188/1311156

Citation Formats

The Materials Project. Materials Data on CdPd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311156.
The Materials Project. Materials Data on CdPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1311156
The Materials Project. 2020. "Materials Data on CdPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1311156. https://www.osti.gov/servlets/purl/1311156. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1311156,
title = {Materials Data on CdPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with twelve equivalent PdCd4Pd8 cuboctahedra, edges with eight equivalent CdPd12 cuboctahedra, edges with sixteen PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with fourteen PdCd4Pd8 cuboctahedra. There are four shorter (2.86 Å) and four longer (2.87 Å) Pd–Pd bond lengths. All Pd–Cd bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent PdCd4Pd8 cuboctahedra, corners with eight equivalent CdPd12 cuboctahedra, edges with twenty-four PdCd4Pd8 cuboctahedra, faces with six equivalent CdPd12 cuboctahedra, and faces with twelve PdCd4Pd8 cuboctahedra. All Pd–Cd bond lengths are 2.87 Å. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, corners with eight equivalent PdCd4Pd8 cuboctahedra, edges with eight equivalent CdPd12 cuboctahedra, edges with sixteen equivalent PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with fourteen PdCd4Pd8 cuboctahedra.},
doi = {10.17188/1311156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}