Materials Data on LiUN2 by Materials Project

doi:10.17188/1205392

Title: Materials Data on LiUN2 by Materials Project

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Abstract

LiUN2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.23 Å. U5+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing UN6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.23 Å) and two longer (2.33 Å) U–N bond lengths. N3- is bonded to two equivalent Li1+ and three equivalent U5+ atoms to form a mixture of distorted edge and corner-sharing NLi2U3 square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-31066

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; LiUN2; Li-N-U

OSTI Identifier:: 1205392

DOI:: https://doi.org/10.17188/1205392

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                    The Materials Project. Materials Data on LiUN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205392.

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                    The Materials Project. Materials Data on LiUN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205392

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                    The Materials Project. 2020.  
"Materials Data on LiUN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205392.  https://www.osti.gov/servlets/purl/1205392. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205392,

  title        = {Materials Data on LiUN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiUN2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.23 Å. U5+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing UN6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.23 Å) and two longer (2.33 Å) U–N bond lengths. N3- is bonded to two equivalent Li1+ and three equivalent U5+ atoms to form a mixture of distorted edge and corner-sharing NLi2U3 square pyramids.},

  doi          = {10.17188/1205392},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205392

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