Materials Data on HfPd3 by Materials Project

doi:10.17188/1187842

Title: Materials Data on HfPd3 by Materials Project

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Abstract

Pd3Hf is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. All Hf–Pd bond lengths are 2.84 Å. In the second Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. There are six shorter (2.84 Å) and six longer (2.86 Å) Hf–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four Hf atoms. In the second Pd site, Pd is bonded in a distorted see-saw-like geometry to four Hf atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-11453

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; HfPd3; Hf-Pd

OSTI Identifier:: 1187842

DOI:: https://doi.org/10.17188/1187842

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                    The Materials Project. Materials Data on HfPd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187842.

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                    The Materials Project. Materials Data on HfPd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187842

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                    The Materials Project. 2020.  
"Materials Data on HfPd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187842.  https://www.osti.gov/servlets/purl/1187842. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1187842,

  title        = {Materials Data on HfPd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd3Hf is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. All Hf–Pd bond lengths are 2.84 Å. In the second Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. There are six shorter (2.84 Å) and six longer (2.86 Å) Hf–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four Hf atoms. In the second Pd site, Pd is bonded in a distorted see-saw-like geometry to four Hf atoms.},

  doi          = {10.17188/1187842},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187842

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