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Title: Materials Data on Ce8Pd24Pb by Materials Project

Abstract

Ce8Pd24Pb crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form distorted CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, edges with six equivalent PdCe4Pd8 cuboctahedra, faces with three equivalent PdCe4Pd8 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and a faceface with one PbPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 3.02–3.05 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Ce and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.94 Å. In the second Pd site, Pd is bonded to four equivalent Ce and eight Pd atoms to form distorted PdCe4Pd8 cuboctahedra that share edges with eight equivalent CePd12 cuboctahedra, faces with four equivalent CePd12 cuboctahedra, and faces with six equivalent PdCe4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.95 Å. In the third Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Ce and one Pb atom. The Pd–Pb bond length is 2.74 Å. Pb is bonded to six equivalent Pd atoms to form PbPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.

Publication Date:
Other Number(s):
mp-1213855
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; Ce8Pd24Pb; Ce-Pb-Pd
OSTI Identifier:
1748962
DOI:
https://doi.org/10.17188/1748962

Citation Formats

The Materials Project. Materials Data on Ce8Pd24Pb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748962.
The Materials Project. Materials Data on Ce8Pd24Pb by Materials Project. United States. doi:https://doi.org/10.17188/1748962
The Materials Project. 2020. "Materials Data on Ce8Pd24Pb by Materials Project". United States. doi:https://doi.org/10.17188/1748962. https://www.osti.gov/servlets/purl/1748962. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1748962,
title = {Materials Data on Ce8Pd24Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Ce8Pd24Pb crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form distorted CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, edges with six equivalent PdCe4Pd8 cuboctahedra, faces with three equivalent PdCe4Pd8 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and a faceface with one PbPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 3.02–3.05 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Ce and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.94 Å. In the second Pd site, Pd is bonded to four equivalent Ce and eight Pd atoms to form distorted PdCe4Pd8 cuboctahedra that share edges with eight equivalent CePd12 cuboctahedra, faces with four equivalent CePd12 cuboctahedra, and faces with six equivalent PdCe4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.95 Å. In the third Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Ce and one Pb atom. The Pd–Pb bond length is 2.74 Å. Pb is bonded to six equivalent Pd atoms to form PbPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.},
doi = {10.17188/1748962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}