Materials Data on U(N3O7)2 by Materials Project

doi:10.17188/1654393

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

Dataset
Other Related Research

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.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1196565

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; 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.

Copy to clipboard


                    The Materials Project. Materials Data on U(N3O7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654393

Copy to clipboard


                    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

Copy to clipboard


                    
@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}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1654393

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Be(N3O7)2 by Materials Project

Dataset The Materials Project

Be(NO3)4(NO)2 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of sixteen nitroxyl molecules and eight Be(NO3)4 clusters. In each Be(NO3)4 cluster, Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.63 Å) and two longer (1.68 Å) Be–O bond length. There are two inequivalent N+4.33+ sites. In the first N+4.33+ site, N+4.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. In the second N+4.33+ site, N+4.33+ is bonded in a trigonal planar geometry tomore »« less
Materials Data on NiH24C2S2(N3O7)2 by Materials Project

Dataset The Materials Project

Ni(H2O)6(CN3H6)2(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four guanidinium molecules, two nsvfpfuroxfzjs-uhfffaoysa-n molecules, and four sulfuric acid molecules.
Materials Data on MgC2S2(N3O7)2 by Materials Project

Dataset The Materials Project

MgO6(CN3)2(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four guanidine molecules, two magnesium;dihydroxide;tetrahydrate molecules, and four sulfuric acid molecules.
Materials Data on Re3Ru(N3O7)2 by Materials Project

Dataset The Materials Project

RuRe3O14(N2)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty-four ammonia molecules, four ruthenium molecules, and four Re3O14 clusters. In each Re3O14 cluster, there are two inequivalent Re+5.67+ sites. In the first Re+5.67+ site, Re+5.67+ is bonded to five O2- atoms to form distorted corner-sharing ReO5 trigonal bipyramids. There are a spread of Re–O bond distances ranging from 1.72–2.18 Å. In the second Re+5.67+ site, Re+5.67+ is bonded to four O2- atoms to form corner-sharing ReO4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.81 Å) Re–O bond length. There are sevenmore »« less
Materials Data on CoH24C2S2(N3O7)2 by Materials Project

Dataset The Materials Project

Co(H2O)6(CN3H6)2(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two cobalt hexahydrate molecules, four guanidinium molecules, and four sulfuric acid molecules.

Similar Records