Materials Data on Lu(CuS)2 by Materials Project

doi:10.17188/1350381

Title: Materials Data on Lu(CuS)2 by Materials Project

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Abstract

Lu(CuS)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu is bonded to six equivalent S atoms to form distorted LuS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent LuS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Lu–S bond lengths are 2.77 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent LuS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent LuS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are three shorter (2.34 Å) and one longer (2.44 Å) Cu–S bond lengths. S is bonded to three equivalent Lu and four equivalent Cu atoms to form a mixture of distorted edge and corner-sharing SLu3Cu4 pentagonal bipyramids.

Publication Date:: 2017-05-10

Other Number(s):: mp-1018634

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; Cu-Lu-S; Lu(CuS)2; crystal structure

OSTI Identifier:: 1350381

DOI:: https://doi.org/10.17188/1350381

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                    Materials Data on Lu(CuS)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1350381.

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                    Materials Data on Lu(CuS)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350381

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                    2017.  
"Materials Data on Lu(CuS)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350381.  https://www.osti.gov/servlets/purl/1350381. Pub date:Wed May 10 04:00:00 UTC 2017

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@article{osti_1350381,

  title        = {Materials Data on Lu(CuS)2 by Materials Project},

  
  abstractNote = {Lu(CuS)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu is bonded to six equivalent S atoms to form distorted LuS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent LuS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Lu–S bond lengths are 2.77 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent LuS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent LuS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are three shorter (2.34 Å) and one longer (2.44 Å) Cu–S bond lengths. S is bonded to three equivalent Lu and four equivalent Cu atoms to form a mixture of distorted edge and corner-sharing SLu3Cu4 pentagonal bipyramids.},

  doi          = {10.17188/1350381},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1350381

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