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Title: Materials Data on UH12C2S2N6O13 by Materials Project

Abstract

US2O11(CN3H6)2O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight guanidinium molecules; eight water molecules; and two US2O11 sheets oriented in the (0, 0, 1) direction. In each US2O11 sheet, U6+ is bonded to seven O2- atoms to form UO7 pentagonal bipyramids that share corners with four equivalent SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.37 Å. S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S2- atom. In the sixth O2- site,more » O2- is bonded in a single-bond geometry to one S2- atom.« less

Publication Date:
Other Number(s):
mp-722353
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; UH12C2S2N6O13; C-H-N-O-S-U
OSTI Identifier:
1287470
DOI:
10.17188/1287470

Citation Formats

The Materials Project. Materials Data on UH12C2S2N6O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287470.
The Materials Project. Materials Data on UH12C2S2N6O13 by Materials Project. United States. doi:10.17188/1287470.
The Materials Project. 2020. "Materials Data on UH12C2S2N6O13 by Materials Project". United States. doi:10.17188/1287470. https://www.osti.gov/servlets/purl/1287470. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1287470,
title = {Materials Data on UH12C2S2N6O13 by Materials Project},
author = {The Materials Project},
abstractNote = {US2O11(CN3H6)2O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight guanidinium molecules; eight water molecules; and two US2O11 sheets oriented in the (0, 0, 1) direction. In each US2O11 sheet, U6+ is bonded to seven O2- atoms to form UO7 pentagonal bipyramids that share corners with four equivalent SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.37 Å. S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S2- atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1287470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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