Materials Data on RhS2 by Materials Project

doi:10.17188/1198784

Title: Materials Data on RhS2 by Materials Project

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Abstract

RhS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent S2- atoms to form RhS6 octahedra that share corners with twelve equivalent RhS6 octahedra and corners with six equivalent SRh3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Rh–S bond lengths are 2.43 Å. S2- is bonded to three equivalent Rh4+ and one S2- atom to form distorted SRh3S tetrahedra that share corners with three equivalent RhS6 octahedra and corners with fifteen equivalent SRh3S tetrahedra. The corner-sharing octahedral tilt angles are 76°. The S–S bond length is 2.18 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-22555

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; RhS2; Rh-S

OSTI Identifier:: 1198784

DOI:: https://doi.org/10.17188/1198784

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                    The Materials Project. Materials Data on RhS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198784.

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                    The Materials Project. Materials Data on RhS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198784

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                    The Materials Project. 2020.  
"Materials Data on RhS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198784.  https://www.osti.gov/servlets/purl/1198784. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1198784,

  title        = {Materials Data on RhS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RhS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent S2- atoms to form RhS6 octahedra that share corners with twelve equivalent RhS6 octahedra and corners with six equivalent SRh3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Rh–S bond lengths are 2.43 Å. S2- is bonded to three equivalent Rh4+ and one S2- atom to form distorted SRh3S tetrahedra that share corners with three equivalent RhS6 octahedra and corners with fifteen equivalent SRh3S tetrahedra. The corner-sharing octahedral tilt angles are 76°. The S–S bond length is 2.18 Å.},

  doi          = {10.17188/1198784},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198784

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