DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CeYPd6 by Materials Project

Abstract

CeYPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form CePd12 cuboctahedra that share corners with four equivalent CePd12 cuboctahedra, corners with eight equivalent YPd12 cuboctahedra, faces with two equivalent YPd12 cuboctahedra, and faces with four equivalent CePd12 cuboctahedra. There are eight shorter (2.91 Å) and four longer (2.94 Å) Ce–Pd bond lengths. Y is bonded to twelve Pd atoms to form YPd12 cuboctahedra that share corners with four equivalent YPd12 cuboctahedra, corners with eight equivalent CePd12 cuboctahedra, faces with two equivalent CePd12 cuboctahedra, and faces with four equivalent YPd12 cuboctahedra. There are four shorter (2.94 Å) and eight longer (2.95 Å) Y–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Y atoms. In the third Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce and two equivalent Y atoms.

Authors:
Publication Date:
Other Number(s):
mp-1226462
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; CeYPd6; Ce-Pd-Y
OSTI Identifier:
1688167
DOI:
https://doi.org/10.17188/1688167

Citation Formats

The Materials Project. Materials Data on CeYPd6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688167.
The Materials Project. Materials Data on CeYPd6 by Materials Project. United States. doi:https://doi.org/10.17188/1688167
The Materials Project. 2019. "Materials Data on CeYPd6 by Materials Project". United States. doi:https://doi.org/10.17188/1688167. https://www.osti.gov/servlets/purl/1688167. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1688167,
title = {Materials Data on CeYPd6 by Materials Project},
author = {The Materials Project},
abstractNote = {CeYPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form CePd12 cuboctahedra that share corners with four equivalent CePd12 cuboctahedra, corners with eight equivalent YPd12 cuboctahedra, faces with two equivalent YPd12 cuboctahedra, and faces with four equivalent CePd12 cuboctahedra. There are eight shorter (2.91 Å) and four longer (2.94 Å) Ce–Pd bond lengths. Y is bonded to twelve Pd atoms to form YPd12 cuboctahedra that share corners with four equivalent YPd12 cuboctahedra, corners with eight equivalent CePd12 cuboctahedra, faces with two equivalent CePd12 cuboctahedra, and faces with four equivalent YPd12 cuboctahedra. There are four shorter (2.94 Å) and eight longer (2.95 Å) Y–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Y atoms. In the third Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce and two equivalent Y atoms.},
doi = {10.17188/1688167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}