DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on USbO5 by Materials Project

Abstract

USbO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. U5+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four SbO6 octahedra, edges with two SbO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–39°. There are a spread of U–O bond distances ranging from 2.00–2.51 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are four shorter (2.00 Å) and two longer (2.01 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–O bond distances ranging from 1.99–2.01 Å. There are five inequivalent O2- sites. In the first O2- site,more » O2- is bonded in a linear geometry to one U5+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a linear geometry to one U5+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U5+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Sb5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-28779
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; USbO5; O-Sb-U
OSTI Identifier:
1202835
DOI:
https://doi.org/10.17188/1202835

Citation Formats

The Materials Project. Materials Data on USbO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202835.
The Materials Project. Materials Data on USbO5 by Materials Project. United States. doi:https://doi.org/10.17188/1202835
The Materials Project. 2020. "Materials Data on USbO5 by Materials Project". United States. doi:https://doi.org/10.17188/1202835. https://www.osti.gov/servlets/purl/1202835. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202835,
title = {Materials Data on USbO5 by Materials Project},
author = {The Materials Project},
abstractNote = {USbO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. U5+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four SbO6 octahedra, edges with two SbO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–39°. There are a spread of U–O bond distances ranging from 2.00–2.51 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are four shorter (2.00 Å) and two longer (2.01 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–O bond distances ranging from 1.99–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one U5+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a linear geometry to one U5+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U5+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Sb5+ atom.},
doi = {10.17188/1202835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}