Materials Data on CaZn3Se4 by Materials Project

doi:10.17188/1732038

Title: Materials Data on CaZn3Se4 by Materials Project

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Abstract

CaZn3Se4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with twelve equivalent ZnSe4 tetrahedra. All Ca–Se bond lengths are 2.78 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent CaSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All Zn–Se bond lengths are 2.52 Å. Se2- is bonded to one Ca2+ and three equivalent Zn2+ atoms to form corner-sharing SeCaZn3 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1084796

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; CaZn3Se4; Ca-Se-Zn

OSTI Identifier:: 1732038

DOI:: https://doi.org/10.17188/1732038

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                    The Materials Project. Materials Data on CaZn3Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732038.

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                    The Materials Project. Materials Data on CaZn3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732038

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                    The Materials Project. 2020.  
"Materials Data on CaZn3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732038.  https://www.osti.gov/servlets/purl/1732038. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732038,

  title        = {Materials Data on CaZn3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaZn3Se4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with twelve equivalent ZnSe4 tetrahedra. All Ca–Se bond lengths are 2.78 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent CaSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All Zn–Se bond lengths are 2.52 Å. Se2- is bonded to one Ca2+ and three equivalent Zn2+ atoms to form corner-sharing SeCaZn3 tetrahedra.},

  doi          = {10.17188/1732038},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732038

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