Materials Data on Pr(SiAg)2 by Materials Project

doi:10.17188/1205503

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

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Abstract

PrAg2Si2 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 AgSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent PrSi8 hexagonal bipyramids. All Pr–Si bond lengths are 3.24 Å. Ag2+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent PrSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.62 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr4+, four equivalent Ag2+, and one Si4- atom. The Si–Si bond length is 2.34 Å.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-31203

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; Ag-Pr-Si; Pr(SiAg)2; crystal structure

OSTI Identifier:: 1205503

DOI:: https://doi.org/10.17188/1205503

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                    Materials Data on Pr(SiAg)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205503.

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                    Materials Data on Pr(SiAg)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205503

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                    2020.  
"Materials Data on Pr(SiAg)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205503.  https://www.osti.gov/servlets/purl/1205503. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1205503,

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

  
  abstractNote = {PrAg2Si2 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 AgSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent PrSi8 hexagonal bipyramids. All Pr–Si bond lengths are 3.24 Å. Ag2+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent PrSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.62 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr4+, four equivalent Ag2+, and one Si4- atom. The Si–Si bond length is 2.34 Å.},

  doi          = {10.17188/1205503},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1205503

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