Materials Data on PrNi5 by Materials Project

doi:10.17188/1199668

Title: Materials Data on PrNi5 by Materials Project

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Abstract

PrNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.87 Å) and twelve longer (3.18 Å) Pr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four equivalent Pr and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiPr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-2370

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; PrNi5; Ni-Pr

OSTI Identifier:: 1199668

DOI:: https://doi.org/10.17188/1199668

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                    The Materials Project. Materials Data on PrNi5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199668.

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                    The Materials Project. Materials Data on PrNi5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199668

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                    The Materials Project. 2020.  
"Materials Data on PrNi5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199668.  https://www.osti.gov/servlets/purl/1199668. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199668,

  title        = {Materials Data on PrNi5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.87 Å) and twelve longer (3.18 Å) Pr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four equivalent Pr and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiPr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.},

  doi          = {10.17188/1199668},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199668

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