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Title: Materials Data on U(N3O7)2 by Materials Project

Abstract

UO2(NO3)2N2(NO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules, four nitric acid molecules, and two UO2(NO3)2 clusters. In each UO2(NO3)2 cluster, U6+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (1.79 Å) and two longer (2.48 Å) U–O bond lengths. N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.24 Å) and one longer (1.28 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and one N+3.67+ atom.

Publication Date:
Other Number(s):
mp-1196565
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; U(N3O7)2; N-O-U
OSTI Identifier:
1654393
DOI:
https://doi.org/10.17188/1654393

Citation Formats

The Materials Project. Materials Data on U(N3O7)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1654393.
The Materials Project. Materials Data on U(N3O7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1654393
The Materials Project. 2019. "Materials Data on U(N3O7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1654393. https://www.osti.gov/servlets/purl/1654393. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1654393,
title = {Materials Data on U(N3O7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {UO2(NO3)2N2(NO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules, four nitric acid molecules, and two UO2(NO3)2 clusters. In each UO2(NO3)2 cluster, U6+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (1.79 Å) and two longer (2.48 Å) U–O bond lengths. N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.24 Å) and one longer (1.28 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and one N+3.67+ atom.},
doi = {10.17188/1654393},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}