Materials Data on Si3Se by Materials Project

doi:10.17188/1315921

Title: Materials Data on Si3Se by Materials Project

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Abstract

Si3Se is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted body-centered cubic geometry to four equivalent Si+1.33- and four equivalent Se4+ atoms. All Si–Si bond lengths are 2.78 Å. All Si–Se bond lengths are 2.78 Å. In the second Si+1.33- site, Si+1.33- is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms. Se4+ is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-978501

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; Si3Se; Se-Si

OSTI Identifier:: 1315921

DOI:: https://doi.org/10.17188/1315921

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                    The Materials Project. Materials Data on Si3Se by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315921.

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                    The Materials Project. Materials Data on Si3Se by Materials Project.  United States.  doi:https://doi.org/10.17188/1315921

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                    The Materials Project. 2020.  
"Materials Data on Si3Se by Materials Project".  United States.  doi:https://doi.org/10.17188/1315921.  https://www.osti.gov/servlets/purl/1315921. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1315921,

  title        = {Materials Data on Si3Se by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Si3Se is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted body-centered cubic geometry to four equivalent Si+1.33- and four equivalent Se4+ atoms. All Si–Si bond lengths are 2.78 Å. All Si–Se bond lengths are 2.78 Å. In the second Si+1.33- site, Si+1.33- is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms. Se4+ is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms.},

  doi          = {10.17188/1315921},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1315921

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