Materials Data on HoCuSe2 by Materials Project

doi:10.17188/1698948

Title: Materials Data on HoCuSe2 by Materials Project

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Abstract

HoCuSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent Se2- atoms to form HoSe6 octahedra that share corners with twelve equivalent CuSe6 octahedra, edges with six equivalent HoSe6 octahedra, and faces with two equivalent CuSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ho–Se bond lengths are 2.86 Å. Cu1+ is bonded to six equivalent Se2- atoms to form CuSe6 octahedra that share corners with twelve equivalent HoSe6 octahedra, edges with six equivalent CuSe6 octahedra, and faces with two equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Se bond lengths are 2.72 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Ho3+ and three equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1206723

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; HoCuSe2; Cu-Ho-Se

OSTI Identifier:: 1698948

DOI:: https://doi.org/10.17188/1698948

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                    The Materials Project. Materials Data on HoCuSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698948.

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                    The Materials Project. Materials Data on HoCuSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698948

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                    The Materials Project. 2020.  
"Materials Data on HoCuSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698948.  https://www.osti.gov/servlets/purl/1698948. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1698948,

  title        = {Materials Data on HoCuSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoCuSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent Se2- atoms to form HoSe6 octahedra that share corners with twelve equivalent CuSe6 octahedra, edges with six equivalent HoSe6 octahedra, and faces with two equivalent CuSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ho–Se bond lengths are 2.86 Å. Cu1+ is bonded to six equivalent Se2- atoms to form CuSe6 octahedra that share corners with twelve equivalent HoSe6 octahedra, edges with six equivalent CuSe6 octahedra, and faces with two equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Se bond lengths are 2.72 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Ho3+ and three equivalent Cu1+ atoms.},

  doi          = {10.17188/1698948},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698948

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