Materials Data on Ca(SiPd)2 by Materials Project

doi:10.17188/1274034

Title: Materials Data on Ca(SiPd)2 by Materials Project

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Abstract

Ca(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Si4- atoms to form CaSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent CaSi8 hexagonal bipyramids. All Ca–Si bond lengths are 3.24 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent CaSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.39 Å.

Publication Date:: 2020-07-17

Other Number(s):: mp-567769

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; Ca(SiPd)2; Ca-Pd-Si; crystal structure

OSTI Identifier:: 1274034

DOI:: https://doi.org/10.17188/1274034

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                    Materials Data on Ca(SiPd)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274034.

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                    Materials Data on Ca(SiPd)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274034

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                    2020.  
"Materials Data on Ca(SiPd)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274034.  https://www.osti.gov/servlets/purl/1274034. Pub date:Fri Jul 17 04:00:00 UTC 2020

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@article{osti_1274034,

  title        = {Materials Data on Ca(SiPd)2 by Materials Project},

  
  abstractNote = {Ca(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Si4- atoms to form CaSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent CaSi8 hexagonal bipyramids. All Ca–Si bond lengths are 3.24 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent CaSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent CaSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.39 Å.},

  doi          = {10.17188/1274034},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274034

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