Materials Data on U(SiAu)2 by Materials Project

doi:10.17188/1267449

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

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Abstract

UAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.18 Å. Au1+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.58 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U6+, four equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.30 Å.

Publication Date:: 2020-07-15

Other Number(s):: mp-5510

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-U; crystal structure; U(SiAu)2

OSTI Identifier:: 1267449

DOI:: https://doi.org/10.17188/1267449

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                    Materials Data on U(SiAu)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267449.

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                    Materials Data on U(SiAu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267449

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                    2020.  
"Materials Data on U(SiAu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267449.  https://www.osti.gov/servlets/purl/1267449. Pub date:Wed Jul 15 20:00:00 EDT 2020

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@article{osti_1267449,

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

  
  abstractNote = {UAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.18 Å. Au1+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.58 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U6+, four equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.30 Å.},

  doi          = {10.17188/1267449},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267449

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