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Title: Materials Data on LaPu3 by Materials Project

Abstract

Pu3La is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight equivalent Pu and four equivalent La atoms to form PuLa4Pu8 cuboctahedra that share corners with four equivalent PuLa4Pu8 cuboctahedra, corners with eight equivalent LaPu12 cuboctahedra, edges with twenty-four PuLa4Pu8 cuboctahedra, faces with six equivalent LaPu12 cuboctahedra, and faces with twelve PuLa4Pu8 cuboctahedra. All Pu–Pu bond lengths are 3.48 Å. All Pu–La bond lengths are 3.47 Å. In the second Pu site, Pu is bonded to eight Pu and four equivalent La atoms to form PuLa4Pu8 cuboctahedra that share corners with twelve equivalent PuLa4Pu8 cuboctahedra, edges with eight equivalent LaPu12 cuboctahedra, edges with sixteen PuLa4Pu8 cuboctahedra, faces with four equivalent LaPu12 cuboctahedra, and faces with fourteen PuLa4Pu8 cuboctahedra. All Pu–Pu bond lengths are 3.47 Å. All Pu–La bond lengths are 3.48 Å. La is bonded to twelve Pu atoms to form LaPu12 cuboctahedra that share corners with four equivalent LaPu12 cuboctahedra, corners with eight equivalent PuLa4Pu8 cuboctahedra, edges with eight equivalent LaPu12 cuboctahedra, edges with sixteen equivalent PuLa4Pu8 cuboctahedra, faces with four equivalent LaPu12 cuboctahedra, and faces withmore » fourteen PuLa4Pu8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1185252
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; LaPu3; La-Pu
OSTI Identifier:
1753452
DOI:
https://doi.org/10.17188/1753452

Citation Formats

The Materials Project. Materials Data on LaPu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753452.
The Materials Project. Materials Data on LaPu3 by Materials Project. United States. doi:https://doi.org/10.17188/1753452
The Materials Project. 2020. "Materials Data on LaPu3 by Materials Project". United States. doi:https://doi.org/10.17188/1753452. https://www.osti.gov/servlets/purl/1753452. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753452,
title = {Materials Data on LaPu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu3La is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight equivalent Pu and four equivalent La atoms to form PuLa4Pu8 cuboctahedra that share corners with four equivalent PuLa4Pu8 cuboctahedra, corners with eight equivalent LaPu12 cuboctahedra, edges with twenty-four PuLa4Pu8 cuboctahedra, faces with six equivalent LaPu12 cuboctahedra, and faces with twelve PuLa4Pu8 cuboctahedra. All Pu–Pu bond lengths are 3.48 Å. All Pu–La bond lengths are 3.47 Å. In the second Pu site, Pu is bonded to eight Pu and four equivalent La atoms to form PuLa4Pu8 cuboctahedra that share corners with twelve equivalent PuLa4Pu8 cuboctahedra, edges with eight equivalent LaPu12 cuboctahedra, edges with sixteen PuLa4Pu8 cuboctahedra, faces with four equivalent LaPu12 cuboctahedra, and faces with fourteen PuLa4Pu8 cuboctahedra. All Pu–Pu bond lengths are 3.47 Å. All Pu–La bond lengths are 3.48 Å. La is bonded to twelve Pu atoms to form LaPu12 cuboctahedra that share corners with four equivalent LaPu12 cuboctahedra, corners with eight equivalent PuLa4Pu8 cuboctahedra, edges with eight equivalent LaPu12 cuboctahedra, edges with sixteen equivalent PuLa4Pu8 cuboctahedra, faces with four equivalent LaPu12 cuboctahedra, and faces with fourteen PuLa4Pu8 cuboctahedra.},
doi = {10.17188/1753452},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}