Materials Data on ZnGeAsP by Materials Project

doi:10.17188/1698657

Title: Materials Data on ZnGeAsP by Materials Project

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Abstract

ZnGeAsP is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Zn2+ is bonded to two equivalent As3- and two equivalent P3- atoms to form ZnAs2P2 tetrahedra that share corners with four equivalent ZnAs2P2 tetrahedra and corners with eight equivalent GeAs2P2 tetrahedra. Both Zn–As bond lengths are 2.46 Å. Both Zn–P bond lengths are 2.41 Å. Ge4+ is bonded to two equivalent As3- and two equivalent P3- atoms to form GeAs2P2 tetrahedra that share corners with four equivalent GeAs2P2 tetrahedra and corners with eight equivalent ZnAs2P2 tetrahedra. Both Ge–As bond lengths are 2.46 Å. Both Ge–P bond lengths are 2.38 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form AsZn2Ge2 tetrahedra that share corners with four equivalent AsZn2Ge2 tetrahedra and corners with eight equivalent PZn2Ge2 tetrahedra. P3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form PZn2Ge2 tetrahedra that share corners with four equivalent PZn2Ge2 tetrahedra and corners with eight equivalent AsZn2Ge2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1215593

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; ZnGeAsP; As-Ge-P-Zn

OSTI Identifier:: 1698657

DOI:: https://doi.org/10.17188/1698657

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                    The Materials Project. Materials Data on ZnGeAsP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698657.

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                    The Materials Project. Materials Data on ZnGeAsP by Materials Project.  United States.  doi:https://doi.org/10.17188/1698657

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                    The Materials Project. 2020.  
"Materials Data on ZnGeAsP by Materials Project".  United States.  doi:https://doi.org/10.17188/1698657.  https://www.osti.gov/servlets/purl/1698657. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1698657,

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

  author       = {The Materials Project},

  abstractNote = {ZnGeAsP is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Zn2+ is bonded to two equivalent As3- and two equivalent P3- atoms to form ZnAs2P2 tetrahedra that share corners with four equivalent ZnAs2P2 tetrahedra and corners with eight equivalent GeAs2P2 tetrahedra. Both Zn–As bond lengths are 2.46 Å. Both Zn–P bond lengths are 2.41 Å. Ge4+ is bonded to two equivalent As3- and two equivalent P3- atoms to form GeAs2P2 tetrahedra that share corners with four equivalent GeAs2P2 tetrahedra and corners with eight equivalent ZnAs2P2 tetrahedra. Both Ge–As bond lengths are 2.46 Å. Both Ge–P bond lengths are 2.38 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form AsZn2Ge2 tetrahedra that share corners with four equivalent AsZn2Ge2 tetrahedra and corners with eight equivalent PZn2Ge2 tetrahedra. P3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form PZn2Ge2 tetrahedra that share corners with four equivalent PZn2Ge2 tetrahedra and corners with eight equivalent AsZn2Ge2 tetrahedra.},

  doi          = {10.17188/1698657},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1698657

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