Materials Data on SbAsRh by Materials Project

doi:10.17188/1679002

Title: Materials Data on SbAsRh by Materials Project

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Abstract

RhSbAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to three equivalent Sb1- and three equivalent As3- atoms to form RhSb3As3 octahedra that share corners with eight equivalent RhSb3As3 octahedra, corners with three equivalent SbAsRh3 tetrahedra, corners with three equivalent AsSbRh3 tetrahedra, and edges with two equivalent RhSb3As3 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are one shorter (2.66 Å) and two longer (2.69 Å) Rh–Sb bond lengths. There are a spread of Rh–As bond distances ranging from 2.47–2.49 Å. Sb1- is bonded to three equivalent Rh4+ and one As3- atom to form SbAsRh3 tetrahedra that share corners with three equivalent RhSb3As3 octahedra, corners with four equivalent SbAsRh3 tetrahedra, corners with nine equivalent AsSbRh3 tetrahedra, and an edgeedge with one SbAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 70–74°. The Sb–As bond length is 2.69 Å. As3- is bonded to three equivalent Rh4+ and one Sb1- atom to form distorted AsSbRh3 tetrahedra that share corners with three equivalent RhSb3As3 octahedra, corners with four equivalent AsSbRh3 tetrahedra, corners with nine equivalent SbAsRh3 tetrahedra, and an edgeedge with one AsSbRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–76°.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219478

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; SbAsRh; As-Rh-Sb

OSTI Identifier:: 1679002

DOI:: https://doi.org/10.17188/1679002

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                    The Materials Project. Materials Data on SbAsRh by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1679002.

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                    The Materials Project. Materials Data on SbAsRh by Materials Project.  United States.  doi:https://doi.org/10.17188/1679002

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                    The Materials Project. 2019.  
"Materials Data on SbAsRh by Materials Project".  United States.  doi:https://doi.org/10.17188/1679002.  https://www.osti.gov/servlets/purl/1679002. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1679002,

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

  author       = {The Materials Project},

  abstractNote = {RhSbAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to three equivalent Sb1- and three equivalent As3- atoms to form RhSb3As3 octahedra that share corners with eight equivalent RhSb3As3 octahedra, corners with three equivalent SbAsRh3 tetrahedra, corners with three equivalent AsSbRh3 tetrahedra, and edges with two equivalent RhSb3As3 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are one shorter (2.66 Å) and two longer (2.69 Å) Rh–Sb bond lengths. There are a spread of Rh–As bond distances ranging from 2.47–2.49 Å. Sb1- is bonded to three equivalent Rh4+ and one As3- atom to form SbAsRh3 tetrahedra that share corners with three equivalent RhSb3As3 octahedra, corners with four equivalent SbAsRh3 tetrahedra, corners with nine equivalent AsSbRh3 tetrahedra, and an edgeedge with one SbAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 70–74°. The Sb–As bond length is 2.69 Å. As3- is bonded to three equivalent Rh4+ and one Sb1- atom to form distorted AsSbRh3 tetrahedra that share corners with three equivalent RhSb3As3 octahedra, corners with four equivalent AsSbRh3 tetrahedra, corners with nine equivalent SbAsRh3 tetrahedra, and an edgeedge with one AsSbRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–76°.},

  doi          = {10.17188/1679002},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1679002

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