Materials Data on Cr2CuSe4 by Materials Project

doi:10.17188/1207563

Title: Materials Data on Cr2CuSe4 by Materials Project

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Abstract

CuCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent CuSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.53 Å. Cu2+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–Se bond lengths are 2.39 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-3880

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; Cr2CuSe4; Cr-Cu-Se

OSTI Identifier:: 1207563

DOI:: https://doi.org/10.17188/1207563

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                    The Materials Project. Materials Data on Cr2CuSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207563.

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                    The Materials Project. Materials Data on Cr2CuSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207563

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                    The Materials Project. 2020.  
"Materials Data on Cr2CuSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207563.  https://www.osti.gov/servlets/purl/1207563. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1207563,

  title        = {Materials Data on Cr2CuSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent CuSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.53 Å. Cu2+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–Se bond lengths are 2.39 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.},

  doi          = {10.17188/1207563},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1207563

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