Materials Data on Pr(NiBi)2 by Materials Project

doi:10.17188/1693256

Title: Materials Data on Pr(NiBi)2 by Materials Project

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Abstract

Pr(NiBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight Ni and eight Bi atoms. There are four shorter (3.33 Å) and four longer (3.61 Å) Pr–Ni bond lengths. There are four shorter (3.47 Å) and four longer (3.63 Å) Pr–Bi bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Bi atoms. There are one shorter (2.58 Å) and four longer (2.67 Å) Ni–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Pr and five Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1080179

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; Pr(NiBi)2; Bi-Ni-Pr

OSTI Identifier:: 1693256

DOI:: https://doi.org/10.17188/1693256

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                    The Materials Project. Materials Data on Pr(NiBi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1693256.

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                    The Materials Project. Materials Data on Pr(NiBi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1693256

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                    The Materials Project. 2020.  
"Materials Data on Pr(NiBi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1693256.  https://www.osti.gov/servlets/purl/1693256. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1693256,

  title        = {Materials Data on Pr(NiBi)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr(NiBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight Ni and eight Bi atoms. There are four shorter (3.33 Å) and four longer (3.61 Å) Pr–Ni bond lengths. There are four shorter (3.47 Å) and four longer (3.63 Å) Pr–Bi bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Bi atoms. There are one shorter (2.58 Å) and four longer (2.67 Å) Ni–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Pr and five Ni atoms.},

  doi          = {10.17188/1693256},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1693256

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