Materials Data on SiSe2 by Materials Project

doi:10.17188/1274353

Title: Materials Data on SiSe2 by Materials Project

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Abstract

SiSe2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is zero-dimensional and consists of four $l^{1}-selanyl(selanylidene)silicon molecules. Si4+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Si–Se bond lengths are 2.09 Å. Se2- is bonded in a single-bond geometry to one Si4+ atom.

Publication Date:: 2020-07-23

Other Number(s):: mp-568313

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Se-Si; SiSe2; crystal structure

OSTI Identifier:: 1274353

DOI:: https://doi.org/10.17188/1274353

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                    Materials Data on SiSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274353.

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                    Materials Data on SiSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274353

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                    2020.  
"Materials Data on SiSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274353.  https://www.osti.gov/servlets/purl/1274353. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1274353,

  title        = {Materials Data on SiSe2 by Materials Project},

  
  abstractNote = {SiSe2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is zero-dimensional and consists of four $l^{1}-selanyl(selanylidene)silicon molecules. Si4+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Si–Se bond lengths are 2.09 Å. Se2- is bonded in a single-bond geometry to one Si4+ atom.},

  doi          = {10.17188/1274353},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274353

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Materials Data on SiSe2 by Materials Project

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SiSe2 is Silicon Disuphide-like structured and crystallizes in the orthorhombic Ibam space group. The structure is one-dimensional and consists of two SiSe2 ribbons oriented in the (1, 0, 0) direction. Si4+ is bonded to four equivalent Se2- atoms to form edge-sharing SiSe4 tetrahedra. All Si–Se bond lengths are 2.30 Å. Se2- is bonded in a distorted L-shaped geometry to two equivalent Si4+ atoms.
Materials Data on SiSe2 by Materials Project

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SiSe2 is Silicon Disuphide structured and crystallizes in the orthorhombic Ibam space group. The structure is one-dimensional and consists of two SiSe2 ribbons oriented in the (1, 0, 0) direction. Si4+ is bonded to four equivalent Se2- atoms to form edge-sharing SiSe4 tetrahedra. All Si–Se bond lengths are 2.30 Å. Se2- is bonded in an L-shaped geometry to two equivalent Si4+ atoms.
Materials Data on SiSe2 by Materials Project

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Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
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