Materials Data on AsRhSe by Materials Project

doi:10.17188/1689633

Title: Materials Data on AsRhSe by Materials Project

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Abstract

RhAsSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh3+ is bonded to three equivalent As1- and three equivalent Se2- atoms to form RhAs3Se3 octahedra that share corners with twelve equivalent RhAs3Se3 octahedra, corners with three equivalent AsRh3Se tetrahedra, and corners with three equivalent SeAsRh3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Rh–As bond lengths are 2.48 Å. All Rh–Se bond lengths are 2.53 Å. As1- is bonded to three equivalent Rh3+ and one Se2- atom to form distorted AsRh3Se tetrahedra that share corners with three equivalent RhAs3Se3 octahedra, corners with six equivalent AsRh3Se tetrahedra, and corners with nine equivalent SeAsRh3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–Se bond length is 2.47 Å. Se2- is bonded to three equivalent Rh3+ and one As1- atom to form SeAsRh3 tetrahedra that share corners with three equivalent RhAs3Se3 octahedra, corners with six equivalent SeAsRh3 tetrahedra, and corners with nine equivalent AsRh3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-1228724

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; AsRhSe; As-Rh-Se

OSTI Identifier:: 1689633

DOI:: https://doi.org/10.17188/1689633

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                    The Materials Project. Materials Data on AsRhSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689633.

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                    The Materials Project. Materials Data on AsRhSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1689633

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                    The Materials Project. 2020.  
"Materials Data on AsRhSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1689633.  https://www.osti.gov/servlets/purl/1689633. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1689633,

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

  author       = {The Materials Project},

  abstractNote = {RhAsSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh3+ is bonded to three equivalent As1- and three equivalent Se2- atoms to form RhAs3Se3 octahedra that share corners with twelve equivalent RhAs3Se3 octahedra, corners with three equivalent AsRh3Se tetrahedra, and corners with three equivalent SeAsRh3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Rh–As bond lengths are 2.48 Å. All Rh–Se bond lengths are 2.53 Å. As1- is bonded to three equivalent Rh3+ and one Se2- atom to form distorted AsRh3Se tetrahedra that share corners with three equivalent RhAs3Se3 octahedra, corners with six equivalent AsRh3Se tetrahedra, and corners with nine equivalent SeAsRh3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–Se bond length is 2.47 Å. Se2- is bonded to three equivalent Rh3+ and one As1- atom to form SeAsRh3 tetrahedra that share corners with three equivalent RhAs3Se3 octahedra, corners with six equivalent SeAsRh3 tetrahedra, and corners with nine equivalent AsRh3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°.},

  doi          = {10.17188/1689633},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1689633

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