Materials Data on SiPd3 by Materials Project

doi:10.17188/1195757

Title: Materials Data on SiPd3 by Materials Project

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Abstract

Pd3Si is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a bent 120 degrees geometry to two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.38–2.60 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-20622

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; SiPd3; Pd-Si

OSTI Identifier:: 1195757

DOI:: https://doi.org/10.17188/1195757

Citation Formats


                    The Materials Project. Materials Data on SiPd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195757.

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                    The Materials Project. Materials Data on SiPd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195757

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                    The Materials Project. 2020.  
"Materials Data on SiPd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195757.  https://www.osti.gov/servlets/purl/1195757. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1195757,

  title        = {Materials Data on SiPd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd3Si is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a bent 120 degrees geometry to two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.38–2.60 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.},

  doi          = {10.17188/1195757},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195757

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