Materials Data on Rh3Pb by Materials Project

doi:10.17188/1314465

Title: Materials Data on Rh3Pb by Materials Project

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Abstract

Rh3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with twelve equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and faces with fourteen RhRh8Pb4 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.90 Å) Rh–Rh bond lengths. All Rh–Pb bond lengths are 2.82 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with four equivalent RhRh8Pb4 cuboctahedra, corners with eight equivalent PbRh12 cuboctahedra, edges with twenty-four RhRh8Pb4 cuboctahedra, faces with six equivalent PbRh12 cuboctahedra, and faces with twelve RhRh8Pb4 cuboctahedra. All Rh–Pb bond lengths are 2.90 Å. Pb is bonded to twelve Rh atoms to form PbRh12 cuboctahedra that share corners with four equivalent PbRh12 cuboctahedra, corners with eight equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen equivalent RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and facesmore » with fourteen RhRh8Pb4 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-974368

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; Rh3Pb; Pb-Rh

OSTI Identifier:: 1314465

DOI:: https://doi.org/10.17188/1314465

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                    The Materials Project. Materials Data on Rh3Pb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314465.

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                    The Materials Project. Materials Data on Rh3Pb by Materials Project.  United States.  doi:https://doi.org/10.17188/1314465

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                    The Materials Project. 2020.  
"Materials Data on Rh3Pb by Materials Project".  United States.  doi:https://doi.org/10.17188/1314465.  https://www.osti.gov/servlets/purl/1314465. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1314465,

  title        = {Materials Data on Rh3Pb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rh3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with twelve equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and faces with fourteen RhRh8Pb4 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.90 Å) Rh–Rh bond lengths. All Rh–Pb bond lengths are 2.82 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with four equivalent RhRh8Pb4 cuboctahedra, corners with eight equivalent PbRh12 cuboctahedra, edges with twenty-four RhRh8Pb4 cuboctahedra, faces with six equivalent PbRh12 cuboctahedra, and faces with twelve RhRh8Pb4 cuboctahedra. All Rh–Pb bond lengths are 2.90 Å. Pb is bonded to twelve Rh atoms to form PbRh12 cuboctahedra that share corners with four equivalent PbRh12 cuboctahedra, corners with eight equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen equivalent RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and faces with fourteen RhRh8Pb4 cuboctahedra.},

  doi          = {10.17188/1314465},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314465

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