Materials Data on PrBi3 by Materials Project

doi:10.17188/1757638

Title: Materials Data on PrBi3 by Materials Project

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Abstract

PrBi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve Bi atoms to form a mixture of corner, edge, and face-sharing PrBi12 cuboctahedra. There are four shorter (3.37 Å) and eight longer (3.65 Å) Pr–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.37 Å. In the second Bi site, Bi is bonded in a square co-planar geometry to four equivalent Pr atoms.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1186746

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; PrBi3; Bi-Pr

OSTI Identifier:: 1757638

DOI:: https://doi.org/10.17188/1757638

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                    The Materials Project. Materials Data on PrBi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757638.

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                    The Materials Project. Materials Data on PrBi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757638

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                    The Materials Project. 2020.  
"Materials Data on PrBi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757638.  https://www.osti.gov/servlets/purl/1757638. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757638,

  title        = {Materials Data on PrBi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrBi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve Bi atoms to form a mixture of corner, edge, and face-sharing PrBi12 cuboctahedra. There are four shorter (3.37 Å) and eight longer (3.65 Å) Pr–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.37 Å. In the second Bi site, Bi is bonded in a square co-planar geometry to four equivalent Pr atoms.},

  doi          = {10.17188/1757638},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1757638

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