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Title: Materials Data on Cd3Pd by Materials Project

Abstract

PdCd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Cd atoms to form PdCd12 cuboctahedra that share corners with four equivalent PdCd12 cuboctahedra, edges with eight equivalent PdCd12 cuboctahedra, edges with sixteen equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with eight equivalent CdCd8Pd4 cuboctahedra. There are four shorter (2.94 Å) and eight longer (3.06 Å) Pd–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Pd and eight Cd atoms to form distorted CdCd8Pd4 cuboctahedra that share corners with twelve equivalent CdCd8Pd4 cuboctahedra, edges with eight equivalent PdCd12 cuboctahedra, edges with eight equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with ten equivalent CdCd8Pd4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.06 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a distorted square co-planar geometry to four equivalent Pd and eight equivalent Cd atoms.

Publication Date:
Other Number(s):
mp-1183635
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; Cd3Pd; Cd-Pd
OSTI Identifier:
1684284
DOI:
https://doi.org/10.17188/1684284

Citation Formats

The Materials Project. Materials Data on Cd3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684284.
The Materials Project. Materials Data on Cd3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1684284
The Materials Project. 2020. "Materials Data on Cd3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1684284. https://www.osti.gov/servlets/purl/1684284. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684284,
title = {Materials Data on Cd3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {PdCd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Cd atoms to form PdCd12 cuboctahedra that share corners with four equivalent PdCd12 cuboctahedra, edges with eight equivalent PdCd12 cuboctahedra, edges with sixteen equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with eight equivalent CdCd8Pd4 cuboctahedra. There are four shorter (2.94 Å) and eight longer (3.06 Å) Pd–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Pd and eight Cd atoms to form distorted CdCd8Pd4 cuboctahedra that share corners with twelve equivalent CdCd8Pd4 cuboctahedra, edges with eight equivalent PdCd12 cuboctahedra, edges with eight equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with ten equivalent CdCd8Pd4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.06 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a distorted square co-planar geometry to four equivalent Pd and eight equivalent Cd atoms.},
doi = {10.17188/1684284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}