Materials Data on Zn(GaTe2)2 by Materials Project

doi:10.17188/1191363

Title: Materials Data on Zn(GaTe2)2 by Materials Project

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Abstract

ZnGa2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Zn–Te bond lengths are 2.69 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-15777

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; Zn(GaTe2)2; Ga-Te-Zn

OSTI Identifier:: 1191363

DOI:: https://doi.org/10.17188/1191363

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                    The Materials Project. Materials Data on Zn(GaTe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191363.

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                    The Materials Project. Materials Data on Zn(GaTe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191363

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                    The Materials Project. 2020.  
"Materials Data on Zn(GaTe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191363.  https://www.osti.gov/servlets/purl/1191363. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191363,

  title        = {Materials Data on Zn(GaTe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnGa2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Zn–Te bond lengths are 2.69 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Ga3+ atoms.},

  doi          = {10.17188/1191363},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191363

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