Materials Data on Si3Ru2 by Materials Project

doi:10.17188/1281644

Title: Materials Data on Si3Ru2 by Materials Project

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Abstract

Ru2Si3 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 6-coordinate geometry to six Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.35–2.52 Å. In the second Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.42–2.86 Å. In the third Ru2+ site, Ru2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.40–2.68 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 7-coordinate geometry to five Ru2+ and two Si+1.33- atoms. There are one shorter (2.38 Å) and one longer (2.69 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 5-coordinate geometry to five Ru2+ atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 4-coordinate geometry to four Ru2+ and one Si+1.33- atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-669501

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; Si3Ru2; Ru-Si

OSTI Identifier:: 1281644

DOI:: https://doi.org/10.17188/1281644

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                    The Materials Project. Materials Data on Si3Ru2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281644.

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                    The Materials Project. Materials Data on Si3Ru2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281644

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                    The Materials Project. 2020.  
"Materials Data on Si3Ru2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281644.  https://www.osti.gov/servlets/purl/1281644. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1281644,

  title        = {Materials Data on Si3Ru2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ru2Si3 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 6-coordinate geometry to six Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.35–2.52 Å. In the second Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.42–2.86 Å. In the third Ru2+ site, Ru2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.40–2.68 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 7-coordinate geometry to five Ru2+ and two Si+1.33- atoms. There are one shorter (2.38 Å) and one longer (2.69 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 5-coordinate geometry to five Ru2+ atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 4-coordinate geometry to four Ru2+ and one Si+1.33- atom.},

  doi          = {10.17188/1281644},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1281644

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