Materials Data on Si3H9N by Materials Project

doi:10.17188/1199869

Title: Materials Data on Si3H9N by Materials Project

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Abstract

Si3NH9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two silanamine, n,n-disilyl- molecules. there are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the second Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the third Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. N3- is bonded in a trigonal planar geometry to three Si+1.33- atoms. There are nine inequivalent H+0.78+ sites. In the first H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the second H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-24026

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; Si3H9N; H-N-Si

OSTI Identifier:: 1199869

DOI:: https://doi.org/10.17188/1199869

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                    The Materials Project. Materials Data on Si3H9N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199869.

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                    The Materials Project. Materials Data on Si3H9N by Materials Project.  United States.  doi:https://doi.org/10.17188/1199869

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                    The Materials Project. 2020.  
"Materials Data on Si3H9N by Materials Project".  United States.  doi:https://doi.org/10.17188/1199869.  https://www.osti.gov/servlets/purl/1199869. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199869,

  title        = {Materials Data on Si3H9N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Si3NH9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two silanamine, n,n-disilyl- molecules. there are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the second Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the third Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. N3- is bonded in a trigonal planar geometry to three Si+1.33- atoms. There are nine inequivalent H+0.78+ sites. In the first H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the second H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the third H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the fourth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the fifth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the sixth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the seventh H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the eighth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the ninth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom.},

  doi          = {10.17188/1199869},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199869

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