Materials Data on Y(SiAu)2 by Materials Project

doi:10.17188/1275712

Title: Materials Data on Y(SiAu)2 by Materials Project

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Abstract

Y(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded to eight equivalent Si4- atoms to form YSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent YSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent YSi8 hexagonal bipyramids. All Y–Si bond lengths are 3.23 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent YSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent YSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.57 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Y3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.30 Å.

Publication Date:: 2020-07-16

Other Number(s):: mp-570452

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Au-Si-Y; Y(SiAu)2; crystal structure

OSTI Identifier:: 1275712

DOI:: https://doi.org/10.17188/1275712

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                    Materials Data on Y(SiAu)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275712.

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                    Materials Data on Y(SiAu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275712

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                    2020.  
"Materials Data on Y(SiAu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275712.  https://www.osti.gov/servlets/purl/1275712. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1275712,

  title        = {Materials Data on Y(SiAu)2 by Materials Project},

  
  abstractNote = {Y(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded to eight equivalent Si4- atoms to form YSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent YSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent YSi8 hexagonal bipyramids. All Y–Si bond lengths are 3.23 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent YSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent YSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.57 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Y3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.30 Å.},

  doi          = {10.17188/1275712},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275712

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