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Title: Materials Data on UH10N2O7 by Materials Project

Abstract

UH8(NO3)2H2O is Tungsten Carbide-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four water molecules and four UH8(NO3)2 clusters. In each UH8(NO3)2 cluster, U6+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (1.84 Å) and two longer (2.34 Å) U–O bond lengths. N1- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both N–H bond lengths are 1.03 Å. The N–O bond length is 1.42 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two H1+more » atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one U6+, one N1-, and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-720295
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; UH10N2O7; H-N-O-U
OSTI Identifier:
1287142
DOI:
https://doi.org/10.17188/1287142

Citation Formats

The Materials Project. Materials Data on UH10N2O7 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1287142.
The Materials Project. Materials Data on UH10N2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1287142
The Materials Project. 2017. "Materials Data on UH10N2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1287142. https://www.osti.gov/servlets/purl/1287142. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1287142,
title = {Materials Data on UH10N2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {UH8(NO3)2H2O is Tungsten Carbide-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four water molecules and four UH8(NO3)2 clusters. In each UH8(NO3)2 cluster, U6+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (1.84 Å) and two longer (2.34 Å) U–O bond lengths. N1- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both N–H bond lengths are 1.03 Å. The N–O bond length is 1.42 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two H1+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one U6+, one N1-, and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.},
doi = {10.17188/1287142},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}