Materials Data on SnRh3 by Materials Project

doi:10.17188/1751794

Title: Materials Data on SnRh3 by Materials Project

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Abstract

Rh3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight equivalent Rh and four equivalent Sn atoms to form distorted RhSn4Rh8 cuboctahedra that share corners with four equivalent SnRh12 cuboctahedra, corners with fourteen equivalent RhSn4Rh8 cuboctahedra, edges with six equivalent SnRh12 cuboctahedra, edges with twelve equivalent RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with sixteen RhSn4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.77–2.90 Å. There are two shorter (2.81 Å) and two longer (2.84 Å) Rh–Sn bond lengths. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Sn atoms to form distorted RhSn4Rh8 cuboctahedra that share corners with four equivalent SnRh12 cuboctahedra, corners with fourteen RhSn4Rh8 cuboctahedra, edges with six equivalent SnRh12 cuboctahedra, edges with twelve equivalent RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with sixteen RhSn4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.77–2.90 Å. There are two shorter (2.81 Å) and two longer (2.84 Å) Rh–Sn bond lengths. Sn is bonded to twelve Rhmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1187077

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; SnRh3; Rh-Sn

OSTI Identifier:: 1751794

DOI:: https://doi.org/10.17188/1751794

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                    The Materials Project. Materials Data on SnRh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751794.

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                    The Materials Project. Materials Data on SnRh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751794

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                    The Materials Project. 2020.  
"Materials Data on SnRh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751794.  https://www.osti.gov/servlets/purl/1751794. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1751794,

  title        = {Materials Data on SnRh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rh3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight equivalent Rh and four equivalent Sn atoms to form distorted RhSn4Rh8 cuboctahedra that share corners with four equivalent SnRh12 cuboctahedra, corners with fourteen equivalent RhSn4Rh8 cuboctahedra, edges with six equivalent SnRh12 cuboctahedra, edges with twelve equivalent RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with sixteen RhSn4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.77–2.90 Å. There are two shorter (2.81 Å) and two longer (2.84 Å) Rh–Sn bond lengths. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Sn atoms to form distorted RhSn4Rh8 cuboctahedra that share corners with four equivalent SnRh12 cuboctahedra, corners with fourteen RhSn4Rh8 cuboctahedra, edges with six equivalent SnRh12 cuboctahedra, edges with twelve equivalent RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with sixteen RhSn4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.77–2.90 Å. There are two shorter (2.81 Å) and two longer (2.84 Å) Rh–Sn bond lengths. Sn is bonded to twelve Rh atoms to form SnRh12 cuboctahedra that share corners with six equivalent SnRh12 cuboctahedra, corners with twelve RhSn4Rh8 cuboctahedra, edges with eighteen RhSn4Rh8 cuboctahedra, faces with eight equivalent SnRh12 cuboctahedra, and faces with twelve RhSn4Rh8 cuboctahedra.},

  doi          = {10.17188/1751794},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1751794

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