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Title: Materials Data on Pu3In by Materials Project

Abstract

Pu3In is Uranium Silicide structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent In atoms to form distorted PuPu8In4 cuboctahedra that share corners with twelve equivalent PuPu8In4 cuboctahedra, edges with eight equivalent InPu12 cuboctahedra, edges with sixteen PuPu8In4 cuboctahedra, faces with four equivalent InPu12 cuboctahedra, and faces with fourteen PuPu8In4 cuboctahedra. There are six shorter (3.07 Å) and two longer (3.08 Å) Pu–Pu bond lengths. All Pu–In bond lengths are 3.07 Å. In the second Pu site, Pu is bonded to eight Pu and four equivalent In atoms to form distorted PuPu8In4 cuboctahedra that share corners with twelve equivalent PuPu8In4 cuboctahedra, edges with eight equivalent InPu12 cuboctahedra, edges with sixteen PuPu8In4 cuboctahedra, faces with four equivalent InPu12 cuboctahedra, and faces with fourteen PuPu8In4 cuboctahedra. There are two shorter (3.07 Å) and two longer (3.08 Å) Pu–Pu bond lengths. All Pu–In bond lengths are 3.07 Å. In the third Pu site, Pu is bonded to eight Pu and four equivalent In atoms to form distorted PuPu8In4 cuboctahedra that share corners with twelve equivalent PuPu8In4 cuboctahedra, edges withmore » eight equivalent InPu12 cuboctahedra, edges with sixteen PuPu8In4 cuboctahedra, faces with four equivalent InPu12 cuboctahedra, and faces with fourteen PuPu8In4 cuboctahedra. All Pu–In bond lengths are 3.08 Å. In is bonded to twelve Pu atoms to form InPu12 cuboctahedra that share corners with twelve equivalent InPu12 cuboctahedra, edges with twenty-four PuPu8In4 cuboctahedra, faces with six equivalent InPu12 cuboctahedra, and faces with twelve PuPu8In4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-614895
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; Pu3In; In-Pu
OSTI Identifier:
1277794
DOI:
https://doi.org/10.17188/1277794

Citation Formats

The Materials Project. Materials Data on Pu3In by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277794.
The Materials Project. Materials Data on Pu3In by Materials Project. United States. doi:https://doi.org/10.17188/1277794
The Materials Project. 2020. "Materials Data on Pu3In by Materials Project". United States. doi:https://doi.org/10.17188/1277794. https://www.osti.gov/servlets/purl/1277794. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1277794,
title = {Materials Data on Pu3In by Materials Project},
author = {The Materials Project},
abstractNote = {Pu3In is Uranium Silicide structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent In atoms to form distorted PuPu8In4 cuboctahedra that share corners with twelve equivalent PuPu8In4 cuboctahedra, edges with eight equivalent InPu12 cuboctahedra, edges with sixteen PuPu8In4 cuboctahedra, faces with four equivalent InPu12 cuboctahedra, and faces with fourteen PuPu8In4 cuboctahedra. There are six shorter (3.07 Å) and two longer (3.08 Å) Pu–Pu bond lengths. All Pu–In bond lengths are 3.07 Å. In the second Pu site, Pu is bonded to eight Pu and four equivalent In atoms to form distorted PuPu8In4 cuboctahedra that share corners with twelve equivalent PuPu8In4 cuboctahedra, edges with eight equivalent InPu12 cuboctahedra, edges with sixteen PuPu8In4 cuboctahedra, faces with four equivalent InPu12 cuboctahedra, and faces with fourteen PuPu8In4 cuboctahedra. There are two shorter (3.07 Å) and two longer (3.08 Å) Pu–Pu bond lengths. All Pu–In bond lengths are 3.07 Å. In the third Pu site, Pu is bonded to eight Pu and four equivalent In atoms to form distorted PuPu8In4 cuboctahedra that share corners with twelve equivalent PuPu8In4 cuboctahedra, edges with eight equivalent InPu12 cuboctahedra, edges with sixteen PuPu8In4 cuboctahedra, faces with four equivalent InPu12 cuboctahedra, and faces with fourteen PuPu8In4 cuboctahedra. All Pu–In bond lengths are 3.08 Å. In is bonded to twelve Pu atoms to form InPu12 cuboctahedra that share corners with twelve equivalent InPu12 cuboctahedra, edges with twenty-four PuPu8In4 cuboctahedra, faces with six equivalent InPu12 cuboctahedra, and faces with twelve PuPu8In4 cuboctahedra.},
doi = {10.17188/1277794},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}