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.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1212872

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

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

OSTI Identifier:: 1707141

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

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

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

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                    The Materials Project. 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 00:00:00 EDT 2020

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@article{osti_1707141,

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

  author       = {The 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         = {2020},

  month        = {4}

}

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

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