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Title: Materials Data on ThUSb4 by Materials Project

Abstract

UThSb4 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of U–Sb bond distances ranging from 3.11–3.26 Å. Th4+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of Th–Sb bond distances ranging from 3.20–3.36 Å. There are three inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to two equivalent U6+, two equivalent Th4+, and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.09 Å. In the second Sb+2.50- site, Sb+2.50- is bonded to four equivalent U6+ and one Th4+ atom to form distorted SbThU4 square pyramids that share corners with four equivalent SbThU4 square pyramids, edges with four equivalent SbThU4 square pyramids, and edges with four equivalent SbTh4U trigonal bipyramids. In the third Sb+2.50- site, Sb+2.50- is bonded to one U6+ and four equivalent Th4+ atoms to form distorted SbTh4U trigonal bipyramids that share corners with four equivalent SbTh4U trigonal bipyramids, edges with four equivalent SbThU4 square pyramids, and edges with four equivalent SbTh4U trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1217354
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; ThUSb4; Sb-Th-U
OSTI Identifier:
1684285
DOI:
https://doi.org/10.17188/1684285

Citation Formats

The Materials Project. Materials Data on ThUSb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684285.
The Materials Project. Materials Data on ThUSb4 by Materials Project. United States. doi:https://doi.org/10.17188/1684285
The Materials Project. 2020. "Materials Data on ThUSb4 by Materials Project". United States. doi:https://doi.org/10.17188/1684285. https://www.osti.gov/servlets/purl/1684285. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684285,
title = {Materials Data on ThUSb4 by Materials Project},
author = {The Materials Project},
abstractNote = {UThSb4 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of U–Sb bond distances ranging from 3.11–3.26 Å. Th4+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of Th–Sb bond distances ranging from 3.20–3.36 Å. There are three inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to two equivalent U6+, two equivalent Th4+, and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.09 Å. In the second Sb+2.50- site, Sb+2.50- is bonded to four equivalent U6+ and one Th4+ atom to form distorted SbThU4 square pyramids that share corners with four equivalent SbThU4 square pyramids, edges with four equivalent SbThU4 square pyramids, and edges with four equivalent SbTh4U trigonal bipyramids. In the third Sb+2.50- site, Sb+2.50- is bonded to one U6+ and four equivalent Th4+ atoms to form distorted SbTh4U trigonal bipyramids that share corners with four equivalent SbTh4U trigonal bipyramids, edges with four equivalent SbThU4 square pyramids, and edges with four equivalent SbTh4U trigonal bipyramids.},
doi = {10.17188/1684285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}