Materials Data on Rh3Se by Materials Project

doi:10.17188/1314468

Title: Materials Data on Rh3Se by Materials Project

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Abstract

Rh3Se 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 Rh and four equivalent Se atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent SeRh12 cuboctahedra, corners with fourteen RhRh8Se4 cuboctahedra, edges with six equivalent SeRh12 cuboctahedra, edges with twelve RhRh8Se4 cuboctahedra, faces with four equivalent SeRh12 cuboctahedra, and faces with sixteen RhRh8Se4 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.74–2.83 Å. There are two shorter (2.76 Å) and two longer (2.80 Å) Rh–Se bond lengths. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Se atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent SeRh12 cuboctahedra, corners with fourteen RhRh8Se4 cuboctahedra, edges with six equivalent SeRh12 cuboctahedra, edges with twelve equivalent RhRh8Se4 cuboctahedra, faces with four equivalent SeRh12 cuboctahedra, and faces with sixteen RhRh8Se4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.80 Å) Rh–Se bond lengths. Se is bonded to twelve Rh atoms to form SeRh12 cuboctahedra that share corners with six equivalent SeRh12 cuboctahedra, corners withmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-974372

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; Rh3Se; Rh-Se

OSTI Identifier:: 1314468

DOI:: https://doi.org/10.17188/1314468

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                    The Materials Project. Materials Data on Rh3Se by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314468.

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                    The Materials Project. Materials Data on Rh3Se by Materials Project.  United States.  doi:https://doi.org/10.17188/1314468

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                    The Materials Project. 2020.  
"Materials Data on Rh3Se by Materials Project".  United States.  doi:https://doi.org/10.17188/1314468.  https://www.osti.gov/servlets/purl/1314468. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314468,

  title        = {Materials Data on Rh3Se by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rh3Se 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 Rh and four equivalent Se atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent SeRh12 cuboctahedra, corners with fourteen RhRh8Se4 cuboctahedra, edges with six equivalent SeRh12 cuboctahedra, edges with twelve RhRh8Se4 cuboctahedra, faces with four equivalent SeRh12 cuboctahedra, and faces with sixteen RhRh8Se4 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.74–2.83 Å. There are two shorter (2.76 Å) and two longer (2.80 Å) Rh–Se bond lengths. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Se atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent SeRh12 cuboctahedra, corners with fourteen RhRh8Se4 cuboctahedra, edges with six equivalent SeRh12 cuboctahedra, edges with twelve equivalent RhRh8Se4 cuboctahedra, faces with four equivalent SeRh12 cuboctahedra, and faces with sixteen RhRh8Se4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.80 Å) Rh–Se bond lengths. Se is bonded to twelve Rh atoms to form SeRh12 cuboctahedra that share corners with six equivalent SeRh12 cuboctahedra, corners with twelve equivalent RhRh8Se4 cuboctahedra, edges with eighteen RhRh8Se4 cuboctahedra, faces with eight equivalent SeRh12 cuboctahedra, and faces with twelve RhRh8Se4 cuboctahedra.},

  doi          = {10.17188/1314468},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314468

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