Materials Data on GaSi3 by Materials Project

doi:10.17188/1748792

Title: Materials Data on GaSi3 by Materials Project

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Abstract

GaSi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ga is bonded to twelve Si atoms to form a mixture of distorted corner, edge, and face-sharing GaSi12 cuboctahedra. There are four shorter (2.62 Å) and eight longer (2.96 Å) Ga–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Ga and four equivalent Si atoms. All Si–Si bond lengths are 2.62 Å. In the second Si site, Si is bonded in a square co-planar geometry to four equivalent Ga atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1184252

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; GaSi3; Ga-Si

OSTI Identifier:: 1748792

DOI:: https://doi.org/10.17188/1748792

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                    The Materials Project. Materials Data on GaSi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748792.

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                    The Materials Project. Materials Data on GaSi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748792

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                    The Materials Project. 2020.  
"Materials Data on GaSi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748792.  https://www.osti.gov/servlets/purl/1748792. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1748792,

  title        = {Materials Data on GaSi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GaSi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ga is bonded to twelve Si atoms to form a mixture of distorted corner, edge, and face-sharing GaSi12 cuboctahedra. There are four shorter (2.62 Å) and eight longer (2.96 Å) Ga–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Ga and four equivalent Si atoms. All Si–Si bond lengths are 2.62 Å. In the second Si site, Si is bonded in a square co-planar geometry to four equivalent Ga atoms.},

  doi          = {10.17188/1748792},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748792

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