Materials Data on Y(CuS)2 by Materials Project

doi:10.17188/1350344

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

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Abstract

Y(CuS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent S atoms to form distorted YS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Y–S bond lengths are 2.84 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent YS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent YS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–53°. There are three shorter (2.32 Å) and one longer (2.51 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Y and four equivalent Cu atoms.

Publication Date:: 2020-07-22

Other Number(s):: mp-1018642

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

OSTI Identifier:: 1350344

DOI:: https://doi.org/10.17188/1350344

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                    Materials Data on Y(CuS)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350344.

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                    Materials Data on Y(CuS)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350344

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                    2020.  
"Materials Data on Y(CuS)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350344.  https://www.osti.gov/servlets/purl/1350344. Pub date:Wed Jul 22 20:00:00 EDT 2020

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@article{osti_1350344,

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

  
  abstractNote = {Y(CuS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent S atoms to form distorted YS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Y–S bond lengths are 2.84 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent YS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent YS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–53°. There are three shorter (2.32 Å) and one longer (2.51 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Y and four equivalent Cu atoms.},

  doi          = {10.17188/1350344},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1350344

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