Materials Data on Pr(SiPd)2 by Materials Project

doi:10.17188/1206379

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

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Abstract

PrPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr4+ is bonded to eight equivalent Si4- atoms to form PrSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent PrSi8 hexagonal bipyramids. All Pr–Si bond lengths are 3.24 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent PrSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.50 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr4+, four equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.39 Å.

Publication Date:: 2020-07-15

Other Number(s):: mp-3278

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

OSTI Identifier:: 1206379

DOI:: https://doi.org/10.17188/1206379

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                    Materials Data on Pr(SiPd)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206379.

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                    Materials Data on Pr(SiPd)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206379

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                    2020.  
"Materials Data on Pr(SiPd)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206379.  https://www.osti.gov/servlets/purl/1206379. Pub date:Wed Jul 15 20:00:00 EDT 2020

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@article{osti_1206379,

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

  
  abstractNote = {PrPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr4+ is bonded to eight equivalent Si4- atoms to form PrSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent PrSi8 hexagonal bipyramids. All Pr–Si bond lengths are 3.24 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent PrSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.50 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr4+, four equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.39 Å.},

  doi          = {10.17188/1206379},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206379

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