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Title: Materials Data on U2S2O19 by Materials Project

Abstract

(USO8)4(O2)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four trioxidane molecules and two USO8 ribbons oriented in the (0, 0, 1) direction. In each USO8 ribbon, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three equivalent SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.79–2.65 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 21–44°. There are a spread of S–O bond distances ranging from 1.44–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one U and one O atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to onemore » U atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one S atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one U and one S atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one S atom.« less

Publication Date:
Other Number(s):
mp-1179127
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; U2S2O19; O-S-U
OSTI Identifier:
1753013
DOI:
https://doi.org/10.17188/1753013

Citation Formats

The Materials Project. Materials Data on U2S2O19 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1753013.
The Materials Project. Materials Data on U2S2O19 by Materials Project. United States. doi:https://doi.org/10.17188/1753013
The Materials Project. 2019. "Materials Data on U2S2O19 by Materials Project". United States. doi:https://doi.org/10.17188/1753013. https://www.osti.gov/servlets/purl/1753013. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1753013,
title = {Materials Data on U2S2O19 by Materials Project},
author = {The Materials Project},
abstractNote = {(USO8)4(O2)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four trioxidane molecules and two USO8 ribbons oriented in the (0, 0, 1) direction. In each USO8 ribbon, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three equivalent SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.79–2.65 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 21–44°. There are a spread of S–O bond distances ranging from 1.44–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one U and one O atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one S atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one U and one S atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one S atom.},
doi = {10.17188/1753013},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}