Materials Data on UVN2 by Materials Project

doi:10.17188/1281865

Title: Materials Data on UVN2 by Materials Project

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Abstract

UVN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded to seven N3- atoms to form distorted UN7 pentagonal bipyramids that share corners with four equivalent UN7 pentagonal bipyramids, corners with three equivalent VN5 trigonal bipyramids, edges with four equivalent UN7 pentagonal bipyramids, edges with seven equivalent VN5 trigonal bipyramids, and faces with two equivalent UN7 pentagonal bipyramids. There are a spread of U–N bond distances ranging from 2.33–2.47 Å. V3+ is bonded to five N3- atoms to form VN5 trigonal bipyramids that share corners with three equivalent UN7 pentagonal bipyramids, corners with four equivalent VN5 trigonal bipyramids, edges with seven equivalent UN7 pentagonal bipyramids, and edges with two equivalent VN5 trigonal bipyramids. There are a spread of V–N bond distances ranging from 2.05–2.13 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent U3+ and two equivalent V3+ atoms to form a mixture of edge, face, and corner-sharing NU4V2 octahedra. The corner-sharing octahedra tilt angles range from 14–59°. In the second N3- site, N3- is bonded to three equivalent U3+ and three equivalent V3+ atoms to form a mixture of edge, face, and corner-sharing NU3V3 octahedra.more »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-672368

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; UVN2; N-U-V

OSTI Identifier:: 1281865

DOI:: https://doi.org/10.17188/1281865

Citation Formats


                    The Materials Project. Materials Data on UVN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281865.

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                    The Materials Project. Materials Data on UVN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281865

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                    The Materials Project. 2020.  
"Materials Data on UVN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281865.  https://www.osti.gov/servlets/purl/1281865. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1281865,

  title        = {Materials Data on UVN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UVN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded to seven N3- atoms to form distorted UN7 pentagonal bipyramids that share corners with four equivalent UN7 pentagonal bipyramids, corners with three equivalent VN5 trigonal bipyramids, edges with four equivalent UN7 pentagonal bipyramids, edges with seven equivalent VN5 trigonal bipyramids, and faces with two equivalent UN7 pentagonal bipyramids. There are a spread of U–N bond distances ranging from 2.33–2.47 Å. V3+ is bonded to five N3- atoms to form VN5 trigonal bipyramids that share corners with three equivalent UN7 pentagonal bipyramids, corners with four equivalent VN5 trigonal bipyramids, edges with seven equivalent UN7 pentagonal bipyramids, and edges with two equivalent VN5 trigonal bipyramids. There are a spread of V–N bond distances ranging from 2.05–2.13 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent U3+ and two equivalent V3+ atoms to form a mixture of edge, face, and corner-sharing NU4V2 octahedra. The corner-sharing octahedra tilt angles range from 14–59°. In the second N3- site, N3- is bonded to three equivalent U3+ and three equivalent V3+ atoms to form a mixture of edge, face, and corner-sharing NU3V3 octahedra. The corner-sharing octahedra tilt angles range from 14–59°.},

  doi          = {10.17188/1281865},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281865

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