Materials Data on Te16Rh9 by Materials Project

doi:10.17188/1685310

Title: Materials Data on Te16Rh9 by Materials Project

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Abstract

Rh9Te16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Rh+3.56+ sites. In the first Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Rh–Te bond distances ranging from 2.66–2.69 Å. In the second Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and face-sharing RhTe6 octahedra. There are a spread of Rh–Te bond distances ranging from 2.67–2.74 Å. In the third Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of corner and face-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.74 Å) and four longer (2.75 Å) Rh–Te bond lengths. In the fourth Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Rh–Te bond distances ranging from 2.63–2.71 Å. In the fifth Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6more »« less

Publication Date:: 2018-07-17

Other Number(s):: mp-1101148

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Rh-Te; Te16Rh9; crystal structure

OSTI Identifier:: 1685310

DOI:: https://doi.org/10.17188/1685310

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                    Materials Data on Te16Rh9 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1685310.

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                    Materials Data on Te16Rh9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685310

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                    2018.  
"Materials Data on Te16Rh9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685310.  https://www.osti.gov/servlets/purl/1685310. Pub date:Tue Jul 17 00:00:00 EDT 2018

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@article{osti_1685310,

  title        = {Materials Data on Te16Rh9 by Materials Project},

  
  abstractNote = {Rh9Te16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Rh+3.56+ sites. In the first Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Rh–Te bond distances ranging from 2.66–2.69 Å. In the second Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and face-sharing RhTe6 octahedra. There are a spread of Rh–Te bond distances ranging from 2.67–2.74 Å. In the third Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of corner and face-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.74 Å) and four longer (2.75 Å) Rh–Te bond lengths. In the fourth Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Rh–Te bond distances ranging from 2.63–2.71 Å. In the fifth Rh+3.56+ site, Rh+3.56+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing RhTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Rh–Te bond distances ranging from 2.64–2.71 Å. There are eight inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Rh+3.56+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the sixth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Rh+3.56+ atoms. In the seventh Te2- site, Te2- is bonded in a 4-coordinate geometry to four Rh+3.56+ atoms. In the eighth Te2- site, Te2- is bonded in a 4-coordinate geometry to four Rh+3.56+ atoms.},

  doi          = {10.17188/1685310},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1685310

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