Materials Data on PrSiNi by Materials Project

doi:10.17188/1708623

Title: Materials Data on PrSiNi by Materials Project

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Abstract

PrNiSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Pr3+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing PrSi6 pentagonal pyramids. There are two shorter (3.15 Å) and four longer (3.16 Å) Pr–Si bond lengths. Ni1+ is bonded in a trigonal planar geometry to three Si4- atoms. All Ni–Si bond lengths are 2.37 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. There are two shorter (3.15 Å) and four longer (3.16 Å) Si–Pr bond lengths. All Si–Ni bond lengths are 2.37 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1206335

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; PrSiNi; Ni-Pr-Si

OSTI Identifier:: 1708623

DOI:: https://doi.org/10.17188/1708623

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                    The Materials Project. Materials Data on PrSiNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708623.

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                    The Materials Project. Materials Data on PrSiNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1708623

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                    The Materials Project. 2020.  
"Materials Data on PrSiNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1708623.  https://www.osti.gov/servlets/purl/1708623. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1708623,

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

  author       = {The Materials Project},

  abstractNote = {PrNiSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Pr3+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing PrSi6 pentagonal pyramids. There are two shorter (3.15 Å) and four longer (3.16 Å) Pr–Si bond lengths. Ni1+ is bonded in a trigonal planar geometry to three Si4- atoms. All Ni–Si bond lengths are 2.37 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. There are two shorter (3.15 Å) and four longer (3.16 Å) Si–Pr bond lengths. All Si–Ni bond lengths are 2.37 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms.},

  doi          = {10.17188/1708623},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1708623

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