Materials Data on AsPd3 by Materials Project

doi:10.17188/1664246

Title: Materials Data on AsPd3 by Materials Project

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Abstract

Pd3As crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to twelve Pd and two equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.75–3.26 Å. There are one shorter (2.49 Å) and one longer (2.54 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to five Pd and four equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.85–2.95 Å. There are a spread of Pd–As bond distances ranging from 2.58–2.68 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to ten Pd and three equivalent As atoms. Both Pd–Pd bond lengths are 2.97 Å. There are a spread of Pd–As bond distances ranging from 2.49–2.70 Å. As is bonded in a 9-coordinate geometry to nine Pd atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-1105134

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; AsPd3; As-Pd

OSTI Identifier:: 1664246

DOI:: https://doi.org/10.17188/1664246

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                    The Materials Project. Materials Data on AsPd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664246.

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                    The Materials Project. Materials Data on AsPd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664246

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                    The Materials Project. 2020.  
"Materials Data on AsPd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664246.  https://www.osti.gov/servlets/purl/1664246. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1664246,

  title        = {Materials Data on AsPd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd3As crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to twelve Pd and two equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.75–3.26 Å. There are one shorter (2.49 Å) and one longer (2.54 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to five Pd and four equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.85–2.95 Å. There are a spread of Pd–As bond distances ranging from 2.58–2.68 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to ten Pd and three equivalent As atoms. Both Pd–Pd bond lengths are 2.97 Å. There are a spread of Pd–As bond distances ranging from 2.49–2.70 Å. As is bonded in a 9-coordinate geometry to nine Pd atoms.},

  doi          = {10.17188/1664246},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1664246

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