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Title: Materials Data on TmPu3 by Materials Project

Abstract

Pu3Tm is alpha La-derived 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 Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with twelve equivalent PuTm4Pu8 cuboctahedra, edges with eight equivalent TmPu12 cuboctahedra, edges with sixteen PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with fourteen PuTm4Pu8 cuboctahedra. There are four shorter (3.39 Å) and four longer (3.40 Å) Pu–Pu bond lengths. All Pu–Tm bond lengths are 3.39 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with four equivalent PuTm4Pu8 cuboctahedra, corners with eight equivalent TmPu12 cuboctahedra, edges with twenty-four PuTm4Pu8 cuboctahedra, faces with six equivalent TmPu12 cuboctahedra, and faces with twelve PuTm4Pu8 cuboctahedra. All Pu–Tm bond lengths are 3.40 Å. Tm is bonded to twelve Pu atoms to form TmPu12 cuboctahedra that share corners with four equivalent TmPu12 cuboctahedra, corners with eight equivalent PuTm4Pu8 cuboctahedra, edges with eight equivalent TmPu12 cuboctahedra, edges with sixteen equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces withmore » fourteen PuTm4Pu8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-979010
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; TmPu3; Pu-Tm
OSTI Identifier:
1316070
DOI:
https://doi.org/10.17188/1316070

Citation Formats

The Materials Project. Materials Data on TmPu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316070.
The Materials Project. Materials Data on TmPu3 by Materials Project. United States. doi:https://doi.org/10.17188/1316070
The Materials Project. 2020. "Materials Data on TmPu3 by Materials Project". United States. doi:https://doi.org/10.17188/1316070. https://www.osti.gov/servlets/purl/1316070. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316070,
title = {Materials Data on TmPu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu3Tm is alpha La-derived 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 Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with twelve equivalent PuTm4Pu8 cuboctahedra, edges with eight equivalent TmPu12 cuboctahedra, edges with sixteen PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with fourteen PuTm4Pu8 cuboctahedra. There are four shorter (3.39 Å) and four longer (3.40 Å) Pu–Pu bond lengths. All Pu–Tm bond lengths are 3.39 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with four equivalent PuTm4Pu8 cuboctahedra, corners with eight equivalent TmPu12 cuboctahedra, edges with twenty-four PuTm4Pu8 cuboctahedra, faces with six equivalent TmPu12 cuboctahedra, and faces with twelve PuTm4Pu8 cuboctahedra. All Pu–Tm bond lengths are 3.40 Å. Tm is bonded to twelve Pu atoms to form TmPu12 cuboctahedra that share corners with four equivalent TmPu12 cuboctahedra, corners with eight equivalent PuTm4Pu8 cuboctahedra, edges with eight equivalent TmPu12 cuboctahedra, edges with sixteen equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with fourteen PuTm4Pu8 cuboctahedra.},
doi = {10.17188/1316070},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}