Materials Data on Si2Mo3 by Materials Project

doi:10.17188/1746425

Title: Materials Data on Si2Mo3 by Materials Project

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Abstract

Mo3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mo+2.67+ sites. In the first Mo+2.67+ site, Mo+2.67+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Mo–Si bond lengths are 2.58 Å. In the second Mo+2.67+ site, Mo+2.67+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing MoSi6 pentagonal pyramids. There are two shorter (2.53 Å) and four longer (2.57 Å) Mo–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to eight Mo+2.67+ and one Si4- atom. The Si–Si bond length is 2.52 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1087230

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; Si2Mo3; Mo-Si

OSTI Identifier:: 1746425

DOI:: https://doi.org/10.17188/1746425

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                    The Materials Project. Materials Data on Si2Mo3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746425.

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                    The Materials Project. Materials Data on Si2Mo3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746425

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                    The Materials Project. 2020.  
"Materials Data on Si2Mo3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746425.  https://www.osti.gov/servlets/purl/1746425. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1746425,

  title        = {Materials Data on Si2Mo3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mo3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mo+2.67+ sites. In the first Mo+2.67+ site, Mo+2.67+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Mo–Si bond lengths are 2.58 Å. In the second Mo+2.67+ site, Mo+2.67+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing MoSi6 pentagonal pyramids. There are two shorter (2.53 Å) and four longer (2.57 Å) Mo–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to eight Mo+2.67+ and one Si4- atom. The Si–Si bond length is 2.52 Å.},

  doi          = {10.17188/1746425},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746425

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