Materials Data on Yb(CuSe)3 by Materials Project

doi:10.17188/1758368

Title: Materials Data on Yb(CuSe)3 by Materials Project

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Abstract

Yb(CuSe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent Se2- atoms to form YbSe6 octahedra that share corners with twelve equivalent CuSe4 tetrahedra, edges with three equivalent YbSe6 octahedra, and edges with six equivalent CuSe4 tetrahedra. All Yb–Se bond lengths are 2.91 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent YbSe6 octahedra, corners with six equivalent CuSe4 tetrahedra, edges with two equivalent YbSe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–55°. There are a spread of Cu–Se bond distances ranging from 2.43–2.51 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Yb3+ and four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1215810

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; Yb(CuSe)3; Cu-Se-Yb

OSTI Identifier:: 1758368

DOI:: https://doi.org/10.17188/1758368

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                    The Materials Project. Materials Data on Yb(CuSe)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758368.

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                    The Materials Project. Materials Data on Yb(CuSe)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758368

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                    The Materials Project. 2020.  
"Materials Data on Yb(CuSe)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758368.  https://www.osti.gov/servlets/purl/1758368. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758368,

  title        = {Materials Data on Yb(CuSe)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb(CuSe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent Se2- atoms to form YbSe6 octahedra that share corners with twelve equivalent CuSe4 tetrahedra, edges with three equivalent YbSe6 octahedra, and edges with six equivalent CuSe4 tetrahedra. All Yb–Se bond lengths are 2.91 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent YbSe6 octahedra, corners with six equivalent CuSe4 tetrahedra, edges with two equivalent YbSe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–55°. There are a spread of Cu–Se bond distances ranging from 2.43–2.51 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Yb3+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1758368},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758368

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