Materials Data on GdGaI by Materials Project

doi:10.17188/1723079

Title: Materials Data on GdGaI by Materials Project

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Abstract

GdGaI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one GdGaI sheet oriented in the (0, 0, 1) direction. Gd is bonded to six equivalent Ga and three equivalent I atoms to form a mixture of distorted face and edge-sharing GdGa6I3 octahedra. There are three shorter (2.99 Å) and three longer (3.43 Å) Gd–Ga bond lengths. All Gd–I bond lengths are 3.18 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Gd and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å. I is bonded in a distorted T-shaped geometry to three equivalent Gd atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207031

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; GdGaI; Ga-Gd-I

OSTI Identifier:: 1723079

DOI:: https://doi.org/10.17188/1723079

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                    The Materials Project. Materials Data on GdGaI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1723079.

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                    The Materials Project. Materials Data on GdGaI by Materials Project.  United States.  doi:https://doi.org/10.17188/1723079

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                    The Materials Project. 2020.  
"Materials Data on GdGaI by Materials Project".  United States.  doi:https://doi.org/10.17188/1723079.  https://www.osti.gov/servlets/purl/1723079. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1723079,

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

  author       = {The Materials Project},

  abstractNote = {GdGaI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one GdGaI sheet oriented in the (0, 0, 1) direction. Gd is bonded to six equivalent Ga and three equivalent I atoms to form a mixture of distorted face and edge-sharing GdGa6I3 octahedra. There are three shorter (2.99 Å) and three longer (3.43 Å) Gd–Ga bond lengths. All Gd–I bond lengths are 3.18 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Gd and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å. I is bonded in a distorted T-shaped geometry to three equivalent Gd atoms.},

  doi          = {10.17188/1723079},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1723079

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