Materials Data on Pr3Rh4Pb13 by Materials Project

doi:10.17188/1662330

Title: Materials Data on Pr3Rh4Pb13 by Materials Project

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Abstract

Pr3Rh4Pb13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Pb atoms. All Pr–Rh bond lengths are 3.60 Å. There are four shorter (3.56 Å) and eight longer (3.59 Å) Pr–Pb bond lengths. Rh is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pb atoms. All Rh–Pb bond lengths are 2.79 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to three equivalent Pr, two equivalent Rh, and four Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.16–3.50 Å. In the second Pb site, Pb is bonded in a cuboctahedral geometry to twelve equivalent Pb atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1200080

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; Pr3Rh4Pb13; Pb-Pr-Rh

OSTI Identifier:: 1662330

DOI:: https://doi.org/10.17188/1662330

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                    The Materials Project. Materials Data on Pr3Rh4Pb13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662330.

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                    The Materials Project. Materials Data on Pr3Rh4Pb13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662330

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                    The Materials Project. 2020.  
"Materials Data on Pr3Rh4Pb13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662330.  https://www.osti.gov/servlets/purl/1662330. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1662330,

  title        = {Materials Data on Pr3Rh4Pb13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3Rh4Pb13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Pb atoms. All Pr–Rh bond lengths are 3.60 Å. There are four shorter (3.56 Å) and eight longer (3.59 Å) Pr–Pb bond lengths. Rh is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pb atoms. All Rh–Pb bond lengths are 2.79 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to three equivalent Pr, two equivalent Rh, and four Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.16–3.50 Å. In the second Pb site, Pb is bonded in a cuboctahedral geometry to twelve equivalent Pb atoms.},

  doi          = {10.17188/1662330},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1662330

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