Materials Data on Ce3(Si3Pd10)2 by Materials Project

doi:10.17188/1717100

Title: Materials Data on Ce3(Si3Pd10)2 by Materials Project

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Abstract

Ce3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ce–Pd bond lengths are 3.02 Å. In the second Ce site, Ce is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ce–Pd bond lengths are 2.87 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ce and three equivalent Si atoms to form a mixture of edge and corner-sharing PdCeSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Ce and two equivalent Si atoms. Both Pd–Si bond lengths are 2.44 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1192814

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-Pd-Si; Ce3(Si3Pd10)2; crystal structure

OSTI Identifier:: 1717100

DOI:: https://doi.org/10.17188/1717100

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                    Materials Data on Ce3(Si3Pd10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717100.

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                    Materials Data on Ce3(Si3Pd10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717100

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                    2020.  
"Materials Data on Ce3(Si3Pd10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717100.  https://www.osti.gov/servlets/purl/1717100. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1717100,

  title        = {Materials Data on Ce3(Si3Pd10)2 by Materials Project},

  
  abstractNote = {Ce3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ce–Pd bond lengths are 3.02 Å. In the second Ce site, Ce is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ce–Pd bond lengths are 2.87 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ce and three equivalent Si atoms to form a mixture of edge and corner-sharing PdCeSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Ce and two equivalent Si atoms. Both Pd–Si bond lengths are 2.44 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.},

  doi          = {10.17188/1717100},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1717100

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