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Title: Materials Data on UPd3 by Materials Project

Abstract

UPd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to twelve Pd atoms to form UPd12 cuboctahedra that share corners with six equivalent UPd12 cuboctahedra, edges with twelve equivalent PdU4Pd8 cuboctahedra, faces with six equivalent PdU4Pd8 cuboctahedra, and faces with eight UPd12 cuboctahedra. There are six shorter (2.92 Å) and six longer (2.98 Å) U–Pd bond lengths. In the second U site, U is bonded to twelve Pd atoms to form UPd12 cuboctahedra that share corners with twelve equivalent UPd12 cuboctahedra, edges with twelve equivalent PdU4Pd8 cuboctahedra, faces with six equivalent UPd12 cuboctahedra, and faces with six equivalent PdU4Pd8 cuboctahedra. There are six shorter (2.92 Å) and six longer (2.96 Å) U–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four U and eight Pd atoms to form distorted PdU4Pd8 cuboctahedra that share corners with twelve equivalent PdU4Pd8 cuboctahedra, edges with eight UPd12 cuboctahedra, edges with eight equivalent PdU4Pd8 cuboctahedra, faces with four UPd12 cuboctahedra, and faces with four equivalent PdU4Pd8 cuboctahedra. There are a spread of Pd–Pd bondmore » distances ranging from 2.86–2.98 Å. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four U and four equivalent Pd atoms.« less

Publication Date:
Other Number(s):
mp-30841
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; UPd3; Pd-U
OSTI Identifier:
1205198
DOI:
https://doi.org/10.17188/1205198

Citation Formats

The Materials Project. Materials Data on UPd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205198.
The Materials Project. Materials Data on UPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1205198
The Materials Project. 2020. "Materials Data on UPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1205198. https://www.osti.gov/servlets/purl/1205198. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205198,
title = {Materials Data on UPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {UPd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to twelve Pd atoms to form UPd12 cuboctahedra that share corners with six equivalent UPd12 cuboctahedra, edges with twelve equivalent PdU4Pd8 cuboctahedra, faces with six equivalent PdU4Pd8 cuboctahedra, and faces with eight UPd12 cuboctahedra. There are six shorter (2.92 Å) and six longer (2.98 Å) U–Pd bond lengths. In the second U site, U is bonded to twelve Pd atoms to form UPd12 cuboctahedra that share corners with twelve equivalent UPd12 cuboctahedra, edges with twelve equivalent PdU4Pd8 cuboctahedra, faces with six equivalent UPd12 cuboctahedra, and faces with six equivalent PdU4Pd8 cuboctahedra. There are six shorter (2.92 Å) and six longer (2.96 Å) U–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four U and eight Pd atoms to form distorted PdU4Pd8 cuboctahedra that share corners with twelve equivalent PdU4Pd8 cuboctahedra, edges with eight UPd12 cuboctahedra, edges with eight equivalent PdU4Pd8 cuboctahedra, faces with four UPd12 cuboctahedra, and faces with four equivalent PdU4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.86–2.98 Å. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four U and four equivalent Pd atoms.},
doi = {10.17188/1205198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}