Materials Data on U2N3 by Materials Project

doi:10.17188/1313991

Title: Materials Data on U2N3 by Materials Project

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Abstract

U2N3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U+4.50+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of U–N bond distances ranging from 2.23–2.55 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent U+4.50+ atoms to form NU6 octahedra that share corners with twelve equivalent NU4 tetrahedra, edges with six equivalent NU6 octahedra, and edges with six equivalent NU4 tetrahedra. In the second N3- site, N3- is bonded to four equivalent U+4.50+ atoms to form NU4 tetrahedra that share corners with six equivalent NU6 octahedra, corners with six equivalent NU4 tetrahedra, edges with three equivalent NU6 octahedra, and edges with three equivalent NU4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–57°.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-973

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; U2N3; N-U

OSTI Identifier:: 1313991

DOI:: https://doi.org/10.17188/1313991

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                    The Materials Project. Materials Data on U2N3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313991.

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                    The Materials Project. Materials Data on U2N3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313991

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                    The Materials Project. 2020.  
"Materials Data on U2N3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313991.  https://www.osti.gov/servlets/purl/1313991. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1313991,

  title        = {Materials Data on U2N3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2N3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U+4.50+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of U–N bond distances ranging from 2.23–2.55 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent U+4.50+ atoms to form NU6 octahedra that share corners with twelve equivalent NU4 tetrahedra, edges with six equivalent NU6 octahedra, and edges with six equivalent NU4 tetrahedra. In the second N3- site, N3- is bonded to four equivalent U+4.50+ atoms to form NU4 tetrahedra that share corners with six equivalent NU6 octahedra, corners with six equivalent NU4 tetrahedra, edges with three equivalent NU6 octahedra, and edges with three equivalent NU4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–57°.},

  doi          = {10.17188/1313991},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313991

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