Materials Data on CoRh by Materials Project

doi:10.17188/1746553

Title: Materials Data on CoRh by Materials Project

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Abstract

CoRh crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Rh and six Co atoms to form distorted RhCo6Rh6 cuboctahedra that share corners with twelve RhCo6Rh6 cuboctahedra, edges with twelve RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent RhCo6Rh6 cuboctahedra, and faces with twelve CoCo6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.66 Å. All Rh–Co bond lengths are 2.62 Å. In the second Rh site, Rh is bonded to ten equivalent Rh and six Co atoms to form distorted RhCo6Rh10 cuboctahedra that share corners with ten CoCo6Rh6 cuboctahedra, corners with twelve RhCo6Rh6 cuboctahedra, edges with eight CoCo6Rh6 cuboctahedra, edges with sixteen RhCo6Rh6 cuboctahedra, faces with sixteen equivalent RhCo6Rh10 cuboctahedra, and faces with eighteen CoCo6Rh6 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.66–5.31 Å. All Rh–Co bond lengths are 2.62 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with twelve CoCo6Rh6 cuboctahedra, edges with twelve equivalent RhCo6Rh6 cuboctahedra, edges with twelvemore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1226026

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; CoRh; Co-Rh

OSTI Identifier:: 1746553

DOI:: https://doi.org/10.17188/1746553

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                    The Materials Project. Materials Data on CoRh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746553.

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                    The Materials Project. Materials Data on CoRh by Materials Project.  United States.  doi:https://doi.org/10.17188/1746553

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                    The Materials Project. 2020.  
"Materials Data on CoRh by Materials Project".  United States.  doi:https://doi.org/10.17188/1746553.  https://www.osti.gov/servlets/purl/1746553. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1746553,

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

  author       = {The Materials Project},

  abstractNote = {CoRh crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Rh and six Co atoms to form distorted RhCo6Rh6 cuboctahedra that share corners with twelve RhCo6Rh6 cuboctahedra, edges with twelve RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent RhCo6Rh6 cuboctahedra, and faces with twelve CoCo6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.66 Å. All Rh–Co bond lengths are 2.62 Å. In the second Rh site, Rh is bonded to ten equivalent Rh and six Co atoms to form distorted RhCo6Rh10 cuboctahedra that share corners with ten CoCo6Rh6 cuboctahedra, corners with twelve RhCo6Rh6 cuboctahedra, edges with eight CoCo6Rh6 cuboctahedra, edges with sixteen RhCo6Rh6 cuboctahedra, faces with sixteen equivalent RhCo6Rh10 cuboctahedra, and faces with eighteen CoCo6Rh6 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.66–5.31 Å. All Rh–Co bond lengths are 2.62 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with twelve CoCo6Rh6 cuboctahedra, edges with twelve equivalent RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent CoCo6Rh6 cuboctahedra, and faces with twelve equivalent RhCo6Rh6 cuboctahedra. All Co–Co bond lengths are 2.66 Å. In the second Co site, Co is bonded to six Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with five equivalent RhCo6Rh10 cuboctahedra, corners with twelve CoCo6Rh6 cuboctahedra, edges with ten RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent CoCo6Rh6 cuboctahedra, and faces with fifteen RhCo6Rh6 cuboctahedra. All Co–Rh bond lengths are 2.62 Å. All Co–Co bond lengths are 2.66 Å. In the third Co site, Co is bonded to six Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with five equivalent RhCo6Rh10 cuboctahedra, corners with twelve CoCo6Rh6 cuboctahedra, edges with ten RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent CoCo6Rh6 cuboctahedra, and faces with fifteen RhCo6Rh6 cuboctahedra. All Co–Co bond lengths are 2.66 Å.},

  doi          = {10.17188/1746553},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746553

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