Materials Data on RuRh3 by Materials Project

doi:10.17188/1314460

Title: Materials Data on RuRh3 by Materials Project

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Abstract

RuRh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to twelve equivalent Rh atoms to form RuRh12 cuboctahedra that share corners with six equivalent RuRh12 cuboctahedra, corners with twelve equivalent RhRu4Rh8 cuboctahedra, edges with eighteen equivalent RhRu4Rh8 cuboctahedra, faces with eight equivalent RuRh12 cuboctahedra, and faces with twelve equivalent RhRu4Rh8 cuboctahedra. There are six shorter (2.69 Å) and six longer (2.74 Å) Ru–Rh bond lengths. Rh is bonded to four equivalent Ru and eight equivalent Rh atoms to form RhRu4Rh8 cuboctahedra that share corners with four equivalent RuRh12 cuboctahedra, corners with fourteen equivalent RhRu4Rh8 cuboctahedra, edges with six equivalent RuRh12 cuboctahedra, edges with twelve equivalent RhRu4Rh8 cuboctahedra, faces with four equivalent RuRh12 cuboctahedra, and faces with sixteen equivalent RhRu4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.70–2.75 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-974341

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; RuRh3; Rh-Ru

OSTI Identifier:: 1314460

DOI:: https://doi.org/10.17188/1314460

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                    The Materials Project. Materials Data on RuRh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314460.

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                    The Materials Project. Materials Data on RuRh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314460

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                    The Materials Project. 2020.  
"Materials Data on RuRh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314460.  https://www.osti.gov/servlets/purl/1314460. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314460,

  title        = {Materials Data on RuRh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RuRh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to twelve equivalent Rh atoms to form RuRh12 cuboctahedra that share corners with six equivalent RuRh12 cuboctahedra, corners with twelve equivalent RhRu4Rh8 cuboctahedra, edges with eighteen equivalent RhRu4Rh8 cuboctahedra, faces with eight equivalent RuRh12 cuboctahedra, and faces with twelve equivalent RhRu4Rh8 cuboctahedra. There are six shorter (2.69 Å) and six longer (2.74 Å) Ru–Rh bond lengths. Rh is bonded to four equivalent Ru and eight equivalent Rh atoms to form RhRu4Rh8 cuboctahedra that share corners with four equivalent RuRh12 cuboctahedra, corners with fourteen equivalent RhRu4Rh8 cuboctahedra, edges with six equivalent RuRh12 cuboctahedra, edges with twelve equivalent RhRu4Rh8 cuboctahedra, faces with four equivalent RuRh12 cuboctahedra, and faces with sixteen equivalent RhRu4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.70–2.75 Å.},

  doi          = {10.17188/1314460},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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