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Title: Materials Data on U3O5 by Materials Project

Abstract

U3O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent U+3.33+ sites. In the first U+3.33+ site, U+3.33+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.24–2.28 Å. In the second U+3.33+ site, U+3.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.29–2.43 Å. In the third U+3.33+ site, U+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.more » In the fifth O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-752998
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; U3O5; O-U
OSTI Identifier:
1288882
DOI:
https://doi.org/10.17188/1288882

Citation Formats

The Materials Project. Materials Data on U3O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288882.
The Materials Project. Materials Data on U3O5 by Materials Project. United States. doi:https://doi.org/10.17188/1288882
The Materials Project. 2020. "Materials Data on U3O5 by Materials Project". United States. doi:https://doi.org/10.17188/1288882. https://www.osti.gov/servlets/purl/1288882. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1288882,
title = {Materials Data on U3O5 by Materials Project},
author = {The Materials Project},
abstractNote = {U3O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent U+3.33+ sites. In the first U+3.33+ site, U+3.33+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.24–2.28 Å. In the second U+3.33+ site, U+3.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.29–2.43 Å. In the third U+3.33+ site, U+3.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded to four U+3.33+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra.},
doi = {10.17188/1288882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}