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

Title: Materials Data on YUPd6 by Materials Project

Abstract

UYPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Pd atoms to form UPd12 cuboctahedra that share corners with four equivalent UPd12 cuboctahedra, corners with eight equivalent YPd12 cuboctahedra, faces with two equivalent YPd12 cuboctahedra, faces with four equivalent UPd12 cuboctahedra, and faces with four equivalent PdU4Pd8 cuboctahedra. There are eight shorter (2.89 Å) and four longer (2.92 Å) U–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 UPd12 cuboctahedra, edges with eight equivalent PdU4Pd8 cuboctahedra, faces with two equivalent UPd12 cuboctahedra, and faces with four equivalent YPd12 cuboctahedra. There are four shorter (2.92 Å) and eight longer (2.96 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 Y atoms. In the second Pd site, Pd is bonded to four equivalent U and eight equivalent Pd atoms to form distorted PdU4Pd8 cuboctahedra that share corners with four equivalent PdU4Pd8 cuboctahedra, edges with eight equivalent YPd12 cuboctahedra, faces with four equivalent UPd12 cuboctahedra,more » and faces with four equivalent PdU4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. In the third Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to two equivalent U, two equivalent Y, and two equivalent Pd atoms.« less

Publication Date:
Other Number(s):
mp-1215718
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; YUPd6; Pd-U-Y
OSTI Identifier:
1677200
DOI:
https://doi.org/10.17188/1677200

Citation Formats

The Materials Project. Materials Data on YUPd6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677200.
The Materials Project. Materials Data on YUPd6 by Materials Project. United States. doi:https://doi.org/10.17188/1677200
The Materials Project. 2019. "Materials Data on YUPd6 by Materials Project". United States. doi:https://doi.org/10.17188/1677200. https://www.osti.gov/servlets/purl/1677200. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677200,
title = {Materials Data on YUPd6 by Materials Project},
author = {The Materials Project},
abstractNote = {UYPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Pd atoms to form UPd12 cuboctahedra that share corners with four equivalent UPd12 cuboctahedra, corners with eight equivalent YPd12 cuboctahedra, faces with two equivalent YPd12 cuboctahedra, faces with four equivalent UPd12 cuboctahedra, and faces with four equivalent PdU4Pd8 cuboctahedra. There are eight shorter (2.89 Å) and four longer (2.92 Å) U–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 UPd12 cuboctahedra, edges with eight equivalent PdU4Pd8 cuboctahedra, faces with two equivalent UPd12 cuboctahedra, and faces with four equivalent YPd12 cuboctahedra. There are four shorter (2.92 Å) and eight longer (2.96 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 Y atoms. In the second Pd site, Pd is bonded to four equivalent U and eight equivalent Pd atoms to form distorted PdU4Pd8 cuboctahedra that share corners with four equivalent PdU4Pd8 cuboctahedra, edges with eight equivalent YPd12 cuboctahedra, faces with four equivalent UPd12 cuboctahedra, and faces with four equivalent PdU4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. In the third Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to two equivalent U, two equivalent Y, and two equivalent Pd atoms.},
doi = {10.17188/1677200},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}