Materials Data on Zn(GaSe2)2 by Materials Project

doi:10.17188/1191362

Title: Materials Data on Zn(GaSe2)2 by Materials Project

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Abstract

ZnGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Zn–Se bond lengths are 2.50 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Ga3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-15776

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(GaSe2)2; Ga-Se-Zn

OSTI Identifier:: 1191362

DOI:: https://doi.org/10.17188/1191362

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                    The Materials Project. Materials Data on Zn(GaSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191362.

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                    The Materials Project. Materials Data on Zn(GaSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191362

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                    The Materials Project. 2020.  
"Materials Data on Zn(GaSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191362.  https://www.osti.gov/servlets/purl/1191362. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1191362,

  title        = {Materials Data on Zn(GaSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Zn–Se bond lengths are 2.50 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Ga3+ atoms.},

  doi          = {10.17188/1191362},

  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/10.17188/1191362

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