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Title: Materials Data on TmPu3 by Materials Project

Abstract

Pu3Tm 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 equivalent Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with four equivalent TmPu12 cuboctahedra, corners with fourteen equivalent PuTm4Pu8 cuboctahedra, edges with six equivalent TmPu12 cuboctahedra, edges with twelve equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with sixteen PuTm4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.37–3.48 Å. There are two shorter (3.42 Å) and two longer (3.43 Å) Pu–Tm bond lengths. 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 TmPu12 cuboctahedra, corners with fourteen PuTm4Pu8 cuboctahedra, edges with six equivalent TmPu12 cuboctahedra, edges with twelve equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with sixteen PuTm4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.37–3.48 Å. There are two shorter (3.42 Å) and two longer (3.43 Å) Pu–Tm bond lengths. Tm is bonded to twelve Pu atoms to formmore » TmPu12 cuboctahedra that share corners with six equivalent TmPu12 cuboctahedra, corners with twelve PuTm4Pu8 cuboctahedra, edges with eighteen PuTm4Pu8 cuboctahedra, faces with eight equivalent TmPu12 cuboctahedra, and faces with twelve PuTm4Pu8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1187839
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:
1745908
DOI:
https://doi.org/10.17188/1745908

Citation Formats

The Materials Project. Materials Data on TmPu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745908.
The Materials Project. Materials Data on TmPu3 by Materials Project. United States. doi:https://doi.org/10.17188/1745908
The Materials Project. 2020. "Materials Data on TmPu3 by Materials Project". United States. doi:https://doi.org/10.17188/1745908. https://www.osti.gov/servlets/purl/1745908. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1745908,
title = {Materials Data on TmPu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu3Tm 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 equivalent Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with four equivalent TmPu12 cuboctahedra, corners with fourteen equivalent PuTm4Pu8 cuboctahedra, edges with six equivalent TmPu12 cuboctahedra, edges with twelve equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with sixteen PuTm4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.37–3.48 Å. There are two shorter (3.42 Å) and two longer (3.43 Å) Pu–Tm bond lengths. 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 TmPu12 cuboctahedra, corners with fourteen PuTm4Pu8 cuboctahedra, edges with six equivalent TmPu12 cuboctahedra, edges with twelve equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with sixteen PuTm4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.37–3.48 Å. There are two shorter (3.42 Å) and two longer (3.43 Å) Pu–Tm bond lengths. Tm is bonded to twelve Pu atoms to form TmPu12 cuboctahedra that share corners with six equivalent TmPu12 cuboctahedra, corners with twelve PuTm4Pu8 cuboctahedra, edges with eighteen PuTm4Pu8 cuboctahedra, faces with eight equivalent TmPu12 cuboctahedra, and faces with twelve PuTm4Pu8 cuboctahedra.},
doi = {10.17188/1745908},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}