Materials Data on Si4MoW by Materials Project

doi:10.17188/1722024

Title: Materials Data on Si4MoW by Materials Project

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Abstract

MoSi2(WSi2) crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. W2+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are eight shorter (2.63 Å) and two longer (2.64 Å) W–Si bond lengths. Mo6+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are eight shorter (2.62 Å) and two longer (2.63 Å) Mo–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 10-coordinate geometry to one W2+, four equivalent Mo6+, and five Si2- atoms. There are one shorter (2.59 Å) and four longer (2.64 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a 10-coordinate geometry to four equivalent W2+, one Mo6+, and five Si2- atoms. The Si–Si bond length is 2.61 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1219237

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; Si4MoW; Mo-Si-W

OSTI Identifier:: 1722024

DOI:: https://doi.org/10.17188/1722024

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                    The Materials Project. Materials Data on Si4MoW by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722024.

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                    The Materials Project. Materials Data on Si4MoW by Materials Project.  United States.  doi:https://doi.org/10.17188/1722024

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                    The Materials Project. 2020.  
"Materials Data on Si4MoW by Materials Project".  United States.  doi:https://doi.org/10.17188/1722024.  https://www.osti.gov/servlets/purl/1722024. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1722024,

  title        = {Materials Data on Si4MoW by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoSi2(WSi2) crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. W2+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are eight shorter (2.63 Å) and two longer (2.64 Å) W–Si bond lengths. Mo6+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are eight shorter (2.62 Å) and two longer (2.63 Å) Mo–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 10-coordinate geometry to one W2+, four equivalent Mo6+, and five Si2- atoms. There are one shorter (2.59 Å) and four longer (2.64 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a 10-coordinate geometry to four equivalent W2+, one Mo6+, and five Si2- atoms. The Si–Si bond length is 2.61 Å.},

  doi          = {10.17188/1722024},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722024

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