Materials Data on Er3(Si3Pd10)2 by Materials Project

doi:10.17188/1707141

Title: Materials Data on Er3(Si3Pd10)2 by Materials Project

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Abstract

Er3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Er–Pd bond lengths are 3.01 Å. In the second Er site, Er is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Er–Pd bond lengths are 2.85 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to one Er and two equivalent Si atoms. Both Pd–Si bond lengths are 2.42 Å. In the second Pd site, Pd is bonded to one Er and three equivalent Si atoms to form a mixture of edge and corner-sharing PdErSi3 tetrahedra. All Pd–Si bond lengths are 2.48 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

Publication Date:: Thu Apr 30 04:00:00 UTC 2020

Other Number(s):: mp-1212872

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; Er-Pd-Si; Er3(Si3Pd10)2; crystal structure

OSTI Identifier:: 1707141

DOI:: https://doi.org/10.17188/1707141

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                    Materials Data on Er3(Si3Pd10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707141.

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                    Materials Data on Er3(Si3Pd10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707141

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                    2020.  
"Materials Data on Er3(Si3Pd10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707141.  https://www.osti.gov/servlets/purl/1707141. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1707141,

  title        = {Materials Data on Er3(Si3Pd10)2 by Materials Project},

  
  abstractNote = {Er3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Er–Pd bond lengths are 3.01 Å. In the second Er site, Er is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Er–Pd bond lengths are 2.85 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to one Er and two equivalent Si atoms. Both Pd–Si bond lengths are 2.42 Å. In the second Pd site, Pd is bonded to one Er and three equivalent Si atoms to form a mixture of edge and corner-sharing PdErSi3 tetrahedra. All Pd–Si bond lengths are 2.48 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.},

  doi          = {10.17188/1707141},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 04:00:00 UTC 2020},

  month        = {Thu Apr 30 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1707141

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