Materials Data on ZnAs by Materials Project

doi:10.17188/1287869

Title: Materials Data on ZnAs by Materials Project

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Abstract

AsZn is SC16 CuCl, stable at 5GPa structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As2- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.50–2.72 Å. As2- is bonded in a 5-coordinate geometry to four equivalent Zn2+ and one As2- atom. The As–As bond length is 2.46 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-7372

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; ZnAs; As-Zn

OSTI Identifier:: 1287869

DOI:: https://doi.org/10.17188/1287869

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                    The Materials Project. Materials Data on ZnAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287869.

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                    The Materials Project. Materials Data on ZnAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1287869

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                    The Materials Project. 2020.  
"Materials Data on ZnAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1287869.  https://www.osti.gov/servlets/purl/1287869. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1287869,

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

  author       = {The Materials Project},

  abstractNote = {AsZn is SC16 CuCl, stable at 5GPa structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As2- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.50–2.72 Å. As2- is bonded in a 5-coordinate geometry to four equivalent Zn2+ and one As2- atom. The As–As bond length is 2.46 Å.},

  doi          = {10.17188/1287869},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1287869

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