Materials Data on Si2H6Se by Materials Project

doi:10.17188/1203677

Title: Materials Data on Si2H6Se by Materials Project

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Abstract

Si2H6Se is alpha Np structured and crystallizes in the tetragonal P4_32_12 space group. The structure is zero-dimensional and consists of eight disilaselenane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. In the second Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. There are six inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fourth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fifth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the sixth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. Se2-more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-29310

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; Si2H6Se; H-Se-Si

OSTI Identifier:: 1203677

DOI:: https://doi.org/10.17188/1203677

Citation Formats


                    The Materials Project. Materials Data on Si2H6Se by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203677.

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                    The Materials Project. Materials Data on Si2H6Se by Materials Project.  United States.  doi:https://doi.org/10.17188/1203677

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                    The Materials Project. 2020.  
"Materials Data on Si2H6Se by Materials Project".  United States.  doi:https://doi.org/10.17188/1203677.  https://www.osti.gov/servlets/purl/1203677. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1203677,

  title        = {Materials Data on Si2H6Se by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Si2H6Se is alpha Np structured and crystallizes in the tetragonal P4_32_12 space group. The structure is zero-dimensional and consists of eight disilaselenane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. In the second Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. There are six inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fourth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fifth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the sixth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. Se2- is bonded in an L-shaped geometry to two Si atoms.},

  doi          = {10.17188/1203677},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203677

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