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Title: Materials Data on ThU4O10 by Materials Project

Abstract

U4ThO10 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.37 Å) U–O bond lengths. In the second U4+ site, U4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.37 Å) U–O bond lengths. Th4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Th–O bond lengths are 2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent U4+ and two equivalent Th4+ atoms to form a mixture of edge and corner-sharing OTh2U2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent U4+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U4+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1217343
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; ThU4O10; O-Th-U
OSTI Identifier:
1751626
DOI:
https://doi.org/10.17188/1751626

Citation Formats

The Materials Project. Materials Data on ThU4O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751626.
The Materials Project. Materials Data on ThU4O10 by Materials Project. United States. doi:https://doi.org/10.17188/1751626
The Materials Project. 2020. "Materials Data on ThU4O10 by Materials Project". United States. doi:https://doi.org/10.17188/1751626. https://www.osti.gov/servlets/purl/1751626. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751626,
title = {Materials Data on ThU4O10 by Materials Project},
author = {The Materials Project},
abstractNote = {U4ThO10 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.37 Å) U–O bond lengths. In the second U4+ site, U4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.37 Å) U–O bond lengths. Th4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Th–O bond lengths are 2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent U4+ and two equivalent Th4+ atoms to form a mixture of edge and corner-sharing OTh2U2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent U4+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U4+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.},
doi = {10.17188/1751626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}