Materials Data on AlCdCu3Se4 by Materials Project

doi:10.17188/1678666

Title: Materials Data on AlCdCu3Se4 by Materials Project

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Abstract

Cu3CdAlSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent AlSe4 tetrahedra. All Cu–Se bond lengths are 2.50 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Cd–Se bond lengths are 2.66 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Al–Se bond lengths are 2.42 Å. Se2- is bonded in a distorted pentagonal planar geometry to three equivalent Cu1+, one Cd2+, and one Al3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1182878

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; AlCdCu3Se4; Al-Cd-Cu-Se

OSTI Identifier:: 1678666

DOI:: https://doi.org/10.17188/1678666

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                    The Materials Project. Materials Data on AlCdCu3Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678666.

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                    The Materials Project. Materials Data on AlCdCu3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678666

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                    The Materials Project. 2020.  
"Materials Data on AlCdCu3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678666.  https://www.osti.gov/servlets/purl/1678666. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1678666,

  title        = {Materials Data on AlCdCu3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu3CdAlSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent AlSe4 tetrahedra. All Cu–Se bond lengths are 2.50 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Cd–Se bond lengths are 2.66 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Al–Se bond lengths are 2.42 Å. Se2- is bonded in a distorted pentagonal planar geometry to three equivalent Cu1+, one Cd2+, and one Al3+ atom.},

  doi          = {10.17188/1678666},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678666

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