Materials Data on ZnCrCu3Se4 by Materials Project

doi:10.17188/1651525

Title: Materials Data on ZnCrCu3Se4 by Materials Project

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Abstract

CrCu3ZnSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cr3+ is bonded to four equivalent Se2- atoms to form CrSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Cr–Se bond lengths are 2.44 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent CrSe4 tetrahedra. All Cu–Se bond lengths are 2.46 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent CrSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Zn–Se bond lengths are 2.50 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Cr3+, three equivalent Cu1+, and one Zn2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-1178643

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; ZnCrCu3Se4; Cr-Cu-Se-Zn

OSTI Identifier:: 1651525

DOI:: https://doi.org/10.17188/1651525

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                    The Materials Project. Materials Data on ZnCrCu3Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651525.

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                    The Materials Project. Materials Data on ZnCrCu3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651525

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                    The Materials Project. 2020.  
"Materials Data on ZnCrCu3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651525.  https://www.osti.gov/servlets/purl/1651525. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1651525,

  title        = {Materials Data on ZnCrCu3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrCu3ZnSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cr3+ is bonded to four equivalent Se2- atoms to form CrSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Cr–Se bond lengths are 2.44 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent CrSe4 tetrahedra. All Cu–Se bond lengths are 2.46 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent CrSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Zn–Se bond lengths are 2.50 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Cr3+, three equivalent Cu1+, and one Zn2+ atom.},

  doi          = {10.17188/1651525},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651525

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