Materials Data on UH12C4N4O11 by Materials Project

doi:10.17188/1184552

Title: Materials Data on UH12C4N4O11 by Materials Project

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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.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-558003

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; UH12C4N4O11; C-H-N-O-U

OSTI Identifier:: 1184552

DOI:: https://doi.org/10.17188/1184552

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                    The Materials Project. Materials Data on UH12C4N4O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1184552.

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                    The Materials Project. Materials Data on UH12C4N4O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1184552

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                    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

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@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         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1184552

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