Materials Data on Gd(CuS)3 by Materials Project

doi:10.17188/1685265

Title: Materials Data on Gd(CuS)3 by Materials Project

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Abstract

Gd(CuS)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent S2- atoms to form GdS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent GdS6 octahedra, and edges with six equivalent CuS4 tetrahedra. There are three shorter (2.78 Å) and three longer (2.79 Å) Gd–S bond lengths. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent GdS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent GdS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–54°. There are three shorter (2.38 Å) and one longer (2.43 Å) Cu–S bond lengths. S2- is bonded in a 6-coordinate geometry to two equivalent Gd3+ and four equivalent Cu1+ atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1226384

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-Gd-S; Gd(CuS)3; crystal structure

OSTI Identifier:: 1685265

DOI:: https://doi.org/10.17188/1685265

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                    Materials Data on Gd(CuS)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685265.

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                    Materials Data on Gd(CuS)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685265

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                    2020.  
"Materials Data on Gd(CuS)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685265.  https://www.osti.gov/servlets/purl/1685265. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685265,

  title        = {Materials Data on Gd(CuS)3 by Materials Project},

  
  abstractNote = {Gd(CuS)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent S2- atoms to form GdS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent GdS6 octahedra, and edges with six equivalent CuS4 tetrahedra. There are three shorter (2.78 Å) and three longer (2.79 Å) Gd–S bond lengths. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent GdS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent GdS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–54°. There are three shorter (2.38 Å) and one longer (2.43 Å) Cu–S bond lengths. S2- is bonded in a 6-coordinate geometry to two equivalent Gd3+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1685265},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685265

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