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Title: Materials Data on PuSb3 by Materials Project

Abstract

PuSb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu3+ is bonded to twelve Sb1- atoms to form PuSb12 cuboctahedra that share corners with four equivalent PuSb12 cuboctahedra, edges with eight equivalent PuSb12 cuboctahedra, edges with sixteen equivalent SbPu4Sb8 cuboctahedra, faces with four equivalent PuSb12 cuboctahedra, and faces with eight equivalent SbPu4Sb8 cuboctahedra. There are four shorter (3.11 Å) and eight longer (3.42 Å) Pu–Sb bond lengths. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded to four equivalent Pu3+ and eight Sb1- atoms to form distorted SbPu4Sb8 cuboctahedra that share corners with twelve equivalent SbPu4Sb8 cuboctahedra, edges with eight equivalent PuSb12 cuboctahedra, edges with eight equivalent SbPu4Sb8 cuboctahedra, faces with four equivalent PuSb12 cuboctahedra, and faces with ten equivalent SbPu4Sb8 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.42 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a square co-planar geometry to four equivalent Pu3+ and eight equivalent Sb1- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1186820
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; PuSb3; Pu-Sb
OSTI Identifier:
1738862
DOI:
https://doi.org/10.17188/1738862

Citation Formats

The Materials Project. Materials Data on PuSb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738862.
The Materials Project. Materials Data on PuSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1738862
The Materials Project. 2020. "Materials Data on PuSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1738862. https://www.osti.gov/servlets/purl/1738862. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1738862,
title = {Materials Data on PuSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {PuSb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu3+ is bonded to twelve Sb1- atoms to form PuSb12 cuboctahedra that share corners with four equivalent PuSb12 cuboctahedra, edges with eight equivalent PuSb12 cuboctahedra, edges with sixteen equivalent SbPu4Sb8 cuboctahedra, faces with four equivalent PuSb12 cuboctahedra, and faces with eight equivalent SbPu4Sb8 cuboctahedra. There are four shorter (3.11 Å) and eight longer (3.42 Å) Pu–Sb bond lengths. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded to four equivalent Pu3+ and eight Sb1- atoms to form distorted SbPu4Sb8 cuboctahedra that share corners with twelve equivalent SbPu4Sb8 cuboctahedra, edges with eight equivalent PuSb12 cuboctahedra, edges with eight equivalent SbPu4Sb8 cuboctahedra, faces with four equivalent PuSb12 cuboctahedra, and faces with ten equivalent SbPu4Sb8 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.42 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a square co-planar geometry to four equivalent Pu3+ and eight equivalent Sb1- atoms.},
doi = {10.17188/1738862},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}