Materials Data on Er2Si3Pd by Materials Project

doi:10.17188/1744876

Title: Materials Data on Er2Si3Pd by Materials Project

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Abstract

Er2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted face and edge-sharing ErSi8Pd4 cuboctahedra. There are two shorter (3.00 Å) and two longer (3.17 Å) Er–Pd bond lengths. There are four shorter (3.02 Å) and four longer (3.13 Å) Er–Si bond lengths. In the second Er site, Er is bonded to twelve equivalent Si atoms to form a mixture of face and edge-sharing ErSi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Er–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Si atoms. All Pd–Si bond lengths are 2.40 Å. Si is bonded in a 1-coordinate geometry to six Er, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1212897

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; Er2Si3Pd; Er-Pd-Si

OSTI Identifier:: 1744876

DOI:: https://doi.org/10.17188/1744876

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                    The Materials Project. Materials Data on Er2Si3Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744876.

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                    The Materials Project. Materials Data on Er2Si3Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1744876

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                    The Materials Project. 2020.  
"Materials Data on Er2Si3Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1744876.  https://www.osti.gov/servlets/purl/1744876. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1744876,

  title        = {Materials Data on Er2Si3Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted face and edge-sharing ErSi8Pd4 cuboctahedra. There are two shorter (3.00 Å) and two longer (3.17 Å) Er–Pd bond lengths. There are four shorter (3.02 Å) and four longer (3.13 Å) Er–Si bond lengths. In the second Er site, Er is bonded to twelve equivalent Si atoms to form a mixture of face and edge-sharing ErSi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Er–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Si atoms. All Pd–Si bond lengths are 2.40 Å. Si is bonded in a 1-coordinate geometry to six Er, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.},

  doi          = {10.17188/1744876},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1744876

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