Materials Data on LiUBr4 by Materials Project

doi:10.17188/1705359

Title: Materials Data on LiUBr4 by Materials Project

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Abstract

Li(UBr3)2Li2UBr6 is trigonal omega-derived structured and crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one Li(UBr3)2 sheet oriented in the (0, 0, 1) direction and one Li2UBr6 sheet oriented in the (0, 0, 1) direction. In the Li(UBr3)2 sheet, Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share edges with six equivalent UBr6 octahedra. All Li–Br bond lengths are 2.83 Å. U3+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share edges with three equivalent LiBr6 octahedra and edges with three equivalent UBr6 octahedra. All U–Br bond lengths are 2.95 Å. Br1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent U3+ atoms. In the Li2UBr6 sheet, Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share edges with three equivalent LiBr6 octahedra and edges with three equivalent UBr6 octahedra. All Li–Br bond lengths are 2.87 Å. U3+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share edges with six equivalent LiBr6 octahedra. All U–Br bond lengths are 2.87 Å. Br1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one U3+more » atom.« less

Publication Date:: 2020-05-02

Other Number(s):: mp-1211505

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Br-Li-U; LiUBr4; crystal structure

OSTI Identifier:: 1705359

DOI:: https://doi.org/10.17188/1705359

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                    Materials Data on LiUBr4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705359.

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                    Materials Data on LiUBr4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705359

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                    2020.  
"Materials Data on LiUBr4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705359.  https://www.osti.gov/servlets/purl/1705359. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1705359,

  title        = {Materials Data on LiUBr4 by Materials Project},

  
  abstractNote = {Li(UBr3)2Li2UBr6 is trigonal omega-derived structured and crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one Li(UBr3)2 sheet oriented in the (0, 0, 1) direction and one Li2UBr6 sheet oriented in the (0, 0, 1) direction. In the Li(UBr3)2 sheet, Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share edges with six equivalent UBr6 octahedra. All Li–Br bond lengths are 2.83 Å. U3+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share edges with three equivalent LiBr6 octahedra and edges with three equivalent UBr6 octahedra. All U–Br bond lengths are 2.95 Å. Br1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent U3+ atoms. In the Li2UBr6 sheet, Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share edges with three equivalent LiBr6 octahedra and edges with three equivalent UBr6 octahedra. All Li–Br bond lengths are 2.87 Å. U3+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share edges with six equivalent LiBr6 octahedra. All U–Br bond lengths are 2.87 Å. Br1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one U3+ atom.},

  doi          = {10.17188/1705359},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1705359

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