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Title: Materials Data on UH12C4N4O11 by Materials Project

Abstract

UNO5N(CH3)4(NO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight nitric acid molecules, four tetramethylammonium molecules, and four UNO5 clusters. In each UNO5 cluster, U6+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of U–O bond distances ranging from 1.80–2.49 Å. N3- is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. There are five 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 distorted single-bond geometry to one U6+ and one N3- atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one U6+ and one N3- 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 single-bond geometry to one N3- atom.

Publication Date:
Other Number(s):
mp-558003
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; UH12C4N4O11; C-H-N-O-U
OSTI Identifier:
1184552
DOI:
https://doi.org/10.17188/1184552

Citation Formats

The Materials Project. Materials Data on UH12C4N4O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1184552.
The Materials Project. Materials Data on UH12C4N4O11 by Materials Project. United States. doi:https://doi.org/10.17188/1184552
The Materials Project. 2020. "Materials Data on UH12C4N4O11 by Materials Project". United States. doi:https://doi.org/10.17188/1184552. https://www.osti.gov/servlets/purl/1184552. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1184552,
title = {Materials Data on UH12C4N4O11 by Materials Project},
author = {The Materials Project},
abstractNote = {UNO5N(CH3)4(NO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight nitric acid molecules, four tetramethylammonium molecules, and four UNO5 clusters. In each UNO5 cluster, U6+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of U–O bond distances ranging from 1.80–2.49 Å. N3- is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. There are five 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 distorted single-bond geometry to one U6+ and one N3- atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one U6+ and one N3- 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 single-bond geometry to one N3- atom.},
doi = {10.17188/1184552},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}