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Title: Materials Data on Ce3(Si3Pd10)2 by Materials Project

Abstract

Ce3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ce–Pd bond lengths are 3.02 Å. In the second Ce site, Ce is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ce–Pd bond lengths are 2.87 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ce and three equivalent Si atoms to form a mixture of edge and corner-sharing PdCeSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Ce and two equivalent Si atoms. Both Pd–Si bond lengths are 2.44 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1192814
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; Ce3(Si3Pd10)2; Ce-Pd-Si
OSTI Identifier:
1717100
DOI:
https://doi.org/10.17188/1717100

Citation Formats

The Materials Project. Materials Data on Ce3(Si3Pd10)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1717100.
The Materials Project. Materials Data on Ce3(Si3Pd10)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717100
The Materials Project. 2020. "Materials Data on Ce3(Si3Pd10)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717100. https://www.osti.gov/servlets/purl/1717100. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1717100,
title = {Materials Data on Ce3(Si3Pd10)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ce–Pd bond lengths are 3.02 Å. In the second Ce site, Ce is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ce–Pd bond lengths are 2.87 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ce and three equivalent Si atoms to form a mixture of edge and corner-sharing PdCeSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Ce and two equivalent Si atoms. Both Pd–Si bond lengths are 2.44 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.},
doi = {10.17188/1717100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}