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Title: Materials Data on YPu3 by Materials Project

Abstract

Pu3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Y atoms to form PuY4Pu8 cuboctahedra that share corners with four equivalent YPu12 cuboctahedra, corners with fourteen equivalent PuY4Pu8 cuboctahedra, edges with six equivalent YPu12 cuboctahedra, edges with twelve PuY4Pu8 cuboctahedra, faces with four equivalent YPu12 cuboctahedra, and faces with sixteen PuY4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.35–3.51 Å. There are two shorter (3.43 Å) and two longer (3.45 Å) Pu–Y bond lengths. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Y atoms to form PuY4Pu8 cuboctahedra that share corners with four equivalent YPu12 cuboctahedra, corners with fourteen PuY4Pu8 cuboctahedra, edges with six equivalent YPu12 cuboctahedra, edges with twelve equivalent PuY4Pu8 cuboctahedra, faces with four equivalent YPu12 cuboctahedra, and faces with sixteen PuY4Pu8 cuboctahedra. There are two shorter (3.43 Å) and two longer (3.45 Å) Pu–Y bond lengths. Y is bonded to twelve Pu atoms to form YPu12 cuboctahedra that share corners with six equivalent YPu12 cuboctahedra, corners with twelve PuY4Pu8more » cuboctahedra, edges with eighteen PuY4Pu8 cuboctahedra, faces with eight equivalent YPu12 cuboctahedra, and faces with twelve PuY4Pu8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1187959
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; YPu3; Pu-Y
OSTI Identifier:
1715074
DOI:
https://doi.org/10.17188/1715074

Citation Formats

The Materials Project. Materials Data on YPu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1715074.
The Materials Project. Materials Data on YPu3 by Materials Project. United States. doi:https://doi.org/10.17188/1715074
The Materials Project. 2020. "Materials Data on YPu3 by Materials Project". United States. doi:https://doi.org/10.17188/1715074. https://www.osti.gov/servlets/purl/1715074. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1715074,
title = {Materials Data on YPu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Y atoms to form PuY4Pu8 cuboctahedra that share corners with four equivalent YPu12 cuboctahedra, corners with fourteen equivalent PuY4Pu8 cuboctahedra, edges with six equivalent YPu12 cuboctahedra, edges with twelve PuY4Pu8 cuboctahedra, faces with four equivalent YPu12 cuboctahedra, and faces with sixteen PuY4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.35–3.51 Å. There are two shorter (3.43 Å) and two longer (3.45 Å) Pu–Y bond lengths. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Y atoms to form PuY4Pu8 cuboctahedra that share corners with four equivalent YPu12 cuboctahedra, corners with fourteen PuY4Pu8 cuboctahedra, edges with six equivalent YPu12 cuboctahedra, edges with twelve equivalent PuY4Pu8 cuboctahedra, faces with four equivalent YPu12 cuboctahedra, and faces with sixteen PuY4Pu8 cuboctahedra. There are two shorter (3.43 Å) and two longer (3.45 Å) Pu–Y bond lengths. Y is bonded to twelve Pu atoms to form YPu12 cuboctahedra that share corners with six equivalent YPu12 cuboctahedra, corners with twelve PuY4Pu8 cuboctahedra, edges with eighteen PuY4Pu8 cuboctahedra, faces with eight equivalent YPu12 cuboctahedra, and faces with twelve PuY4Pu8 cuboctahedra.},
doi = {10.17188/1715074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}