Materials Data on Ce(CuSi)2 by Materials Project

doi:10.17188/1266988

Title: Materials Data on Ce(CuSi)2 by Materials Project

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Abstract

CeCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded to eight equivalent Si4- atoms to form CeSi8 hexagonal bipyramids that share corners with sixteen equivalent CuSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, edges with eight equivalent CuSi4 tetrahedra, and faces with four equivalent CeSi8 hexagonal bipyramids. All Ce–Si bond lengths are 3.12 Å. Cu2+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent CeSi8 hexagonal bipyramids, corners with four equivalent CuSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, and edges with four equivalent CuSi4 tetrahedra. All Cu–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ce4+, four equivalent Cu2+, and one Si4- atom. The Si–Si bond length is 2.37 Å.

Publication Date:: 2020-07-14

Other Number(s):: mp-5452

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; Ce(CuSi)2; Ce-Cu-Si; crystal structure

OSTI Identifier:: 1266988

DOI:: https://doi.org/10.17188/1266988

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                    Materials Data on Ce(CuSi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266988.

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                    Materials Data on Ce(CuSi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266988

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                    2020.  
"Materials Data on Ce(CuSi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266988.  https://www.osti.gov/servlets/purl/1266988. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1266988,

  title        = {Materials Data on Ce(CuSi)2 by Materials Project},

  
  abstractNote = {CeCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded to eight equivalent Si4- atoms to form CeSi8 hexagonal bipyramids that share corners with sixteen equivalent CuSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, edges with eight equivalent CuSi4 tetrahedra, and faces with four equivalent CeSi8 hexagonal bipyramids. All Ce–Si bond lengths are 3.12 Å. Cu2+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent CeSi8 hexagonal bipyramids, corners with four equivalent CuSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, and edges with four equivalent CuSi4 tetrahedra. All Cu–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ce4+, four equivalent Cu2+, and one Si4- atom. The Si–Si bond length is 2.37 Å.},

  doi          = {10.17188/1266988},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1266988

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