Materials Data on ZrPd3 by Materials Project

doi:10.17188/1205199

Title: Materials Data on ZrPd3 by Materials Project

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Abstract

Pd3Zr is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZrPd12 cuboctahedra. There are six shorter (2.86 Å) and six longer (2.88 Å) Zr–Pd bond lengths. In the second Zr site, Zr is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZrPd12 cuboctahedra. All Zr–Pd bond lengths are 2.86 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted see-saw-like geometry to four Zr atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four Zr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-30842

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; ZrPd3; Pd-Zr

OSTI Identifier:: 1205199

DOI:: https://doi.org/10.17188/1205199

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                    The Materials Project. Materials Data on ZrPd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205199.

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                    The Materials Project. Materials Data on ZrPd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205199

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                    The Materials Project. 2020.  
"Materials Data on ZrPd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205199.  https://www.osti.gov/servlets/purl/1205199. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1205199,

  title        = {Materials Data on ZrPd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd3Zr is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZrPd12 cuboctahedra. There are six shorter (2.86 Å) and six longer (2.88 Å) Zr–Pd bond lengths. In the second Zr site, Zr is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZrPd12 cuboctahedra. All Zr–Pd bond lengths are 2.86 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted see-saw-like geometry to four Zr atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four Zr atoms.},

  doi          = {10.17188/1205199},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205199

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