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Title: Materials Data on UH2Se2O9 by Materials Project

Abstract

UH2Se2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.80–2.49 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se5+ is bonded to four O2- atoms to form distorted SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids and corners with two equivalent SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.69–2.32 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and one Se5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one U6+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one U6+ and one Se5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to twomore » equivalent Se5+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-696467
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; UH2Se2O9; H-O-Se-U
OSTI Identifier:
1285002
DOI:
10.17188/1285002

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on UH2Se2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285002.
Persson, Kristin, & Project, Materials. Materials Data on UH2Se2O9 by Materials Project. United States. doi:10.17188/1285002.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on UH2Se2O9 by Materials Project". United States. doi:10.17188/1285002. https://www.osti.gov/servlets/purl/1285002. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1285002,
title = {Materials Data on UH2Se2O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {UH2Se2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.80–2.49 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se5+ is bonded to four O2- atoms to form distorted SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids and corners with two equivalent SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.69–2.32 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and one Se5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one U6+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one U6+ and one Se5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Se5+ atoms.},
doi = {10.17188/1285002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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