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Title: Materials Data on U3Pa by Materials Project

Abstract

U3Pa is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Pa atoms to form distorted UU8Pa4 cuboctahedra that share corners with twelve equivalent UU8Pa4 cuboctahedra, edges with eight equivalent UU8Pa4 cuboctahedra, edges with eight equivalent PaU12 cuboctahedra, faces with four equivalent PaU12 cuboctahedra, and faces with ten equivalent UU8Pa4 cuboctahedra. There are four shorter (2.85 Å) and four longer (3.32 Å) U–U bond lengths. All U–Pa bond lengths are 3.32 Å. In the second U site, U is bonded in a square co-planar geometry to eight equivalent U and four equivalent Pa atoms. All U–Pa bond lengths are 2.85 Å. Pa is bonded to twelve U atoms to form distorted PaU12 cuboctahedra that share corners with four equivalent PaU12 cuboctahedra, edges with eight equivalent PaU12 cuboctahedra, edges with sixteen equivalent UU8Pa4 cuboctahedra, faces with four equivalent PaU12 cuboctahedra, and faces with eight equivalent UU8Pa4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-972353
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; U3Pa; Pa-U
OSTI Identifier:
1313814
DOI:
https://doi.org/10.17188/1313814

Citation Formats

The Materials Project. Materials Data on U3Pa by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313814.
The Materials Project. Materials Data on U3Pa by Materials Project. United States. doi:https://doi.org/10.17188/1313814
The Materials Project. 2020. "Materials Data on U3Pa by Materials Project". United States. doi:https://doi.org/10.17188/1313814. https://www.osti.gov/servlets/purl/1313814. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1313814,
title = {Materials Data on U3Pa by Materials Project},
author = {The Materials Project},
abstractNote = {U3Pa is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Pa atoms to form distorted UU8Pa4 cuboctahedra that share corners with twelve equivalent UU8Pa4 cuboctahedra, edges with eight equivalent UU8Pa4 cuboctahedra, edges with eight equivalent PaU12 cuboctahedra, faces with four equivalent PaU12 cuboctahedra, and faces with ten equivalent UU8Pa4 cuboctahedra. There are four shorter (2.85 Å) and four longer (3.32 Å) U–U bond lengths. All U–Pa bond lengths are 3.32 Å. In the second U site, U is bonded in a square co-planar geometry to eight equivalent U and four equivalent Pa atoms. All U–Pa bond lengths are 2.85 Å. Pa is bonded to twelve U atoms to form distorted PaU12 cuboctahedra that share corners with four equivalent PaU12 cuboctahedra, edges with eight equivalent PaU12 cuboctahedra, edges with sixteen equivalent UU8Pa4 cuboctahedra, faces with four equivalent PaU12 cuboctahedra, and faces with eight equivalent UU8Pa4 cuboctahedra.},
doi = {10.17188/1313814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}