Materials Data on PrSi2Ni9 by Materials Project

doi:10.17188/1728792

Title: Materials Data on PrSi2Ni9 by Materials Project

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Abstract

PrNi9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to eighteen Ni atoms. There are a spread of Pr–Ni bond distances ranging from 3.05–3.19 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Pr, eight equivalent Ni, and four equivalent Si atoms. All Ni–Ni bond lengths are 2.62 Å. All Ni–Si bond lengths are 2.58 Å. In the second Ni site, Ni is bonded to two equivalent Pr, eight Ni, and two equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing NiPr2Si2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.42–2.58 Å. There are one shorter (2.33 Å) and one longer (2.38 Å) Ni–Si bond lengths. Si is bonded in a 12-coordinate geometry to ten Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1190679

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; PrSi2Ni9; Ni-Pr-Si

OSTI Identifier:: 1728792

DOI:: https://doi.org/10.17188/1728792

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                    The Materials Project. Materials Data on PrSi2Ni9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728792.

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                    The Materials Project. Materials Data on PrSi2Ni9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728792

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                    The Materials Project. 2020.  
"Materials Data on PrSi2Ni9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728792.  https://www.osti.gov/servlets/purl/1728792. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1728792,

  title        = {Materials Data on PrSi2Ni9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrNi9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to eighteen Ni atoms. There are a spread of Pr–Ni bond distances ranging from 3.05–3.19 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Pr, eight equivalent Ni, and four equivalent Si atoms. All Ni–Ni bond lengths are 2.62 Å. All Ni–Si bond lengths are 2.58 Å. In the second Ni site, Ni is bonded to two equivalent Pr, eight Ni, and two equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing NiPr2Si2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.42–2.58 Å. There are one shorter (2.33 Å) and one longer (2.38 Å) Ni–Si bond lengths. Si is bonded in a 12-coordinate geometry to ten Ni atoms.},

  doi          = {10.17188/1728792},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728792

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