Materials Data on PRhS by Materials Project

doi:10.17188/1665578

Title: Materials Data on PRhS by Materials Project

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Abstract

RhPS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh3+ is bonded to three equivalent P1- and three equivalent S2- atoms to form RhP3S3 octahedra that share corners with twelve equivalent RhP3S3 octahedra, corners with three equivalent PRh3S tetrahedra, and corners with three equivalent SPRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 65–66°. All Rh–P bond lengths are 2.36 Å. All Rh–S bond lengths are 2.42 Å. P1- is bonded to three equivalent Rh3+ and one S2- atom to form distorted PRh3S tetrahedra that share corners with three equivalent RhP3S3 octahedra, corners with six equivalent PRh3S tetrahedra, and corners with nine equivalent SPRh3 tetrahedra. The corner-sharing octahedral tilt angles are 76°. The P–S bond length is 2.17 Å. S2- is bonded to three equivalent Rh3+ and one P1- atom to form SPRh3 tetrahedra that share corners with three equivalent RhP3S3 octahedra, corners with six equivalent SPRh3 tetrahedra, and corners with nine equivalent PRh3S tetrahedra. The corner-sharing octahedral tilt angles are 77°.

Publication Date:: 2020-07-22

Other Number(s):: mp-1219924

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; P-Rh-S; PRhS; crystal structure

OSTI Identifier:: 1665578

DOI:: https://doi.org/10.17188/1665578

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                    Materials Data on PRhS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1665578.

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                    Materials Data on PRhS by Materials Project.  United States.  doi:https://doi.org/10.17188/1665578

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                    2020.  
"Materials Data on PRhS by Materials Project".  United States.  doi:https://doi.org/10.17188/1665578.  https://www.osti.gov/servlets/purl/1665578. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1665578,

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

  
  abstractNote = {RhPS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh3+ is bonded to three equivalent P1- and three equivalent S2- atoms to form RhP3S3 octahedra that share corners with twelve equivalent RhP3S3 octahedra, corners with three equivalent PRh3S tetrahedra, and corners with three equivalent SPRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 65–66°. All Rh–P bond lengths are 2.36 Å. All Rh–S bond lengths are 2.42 Å. P1- is bonded to three equivalent Rh3+ and one S2- atom to form distorted PRh3S tetrahedra that share corners with three equivalent RhP3S3 octahedra, corners with six equivalent PRh3S tetrahedra, and corners with nine equivalent SPRh3 tetrahedra. The corner-sharing octahedral tilt angles are 76°. The P–S bond length is 2.17 Å. S2- is bonded to three equivalent Rh3+ and one P1- atom to form SPRh3 tetrahedra that share corners with three equivalent RhP3S3 octahedra, corners with six equivalent SPRh3 tetrahedra, and corners with nine equivalent PRh3S tetrahedra. The corner-sharing octahedral tilt angles are 77°.},

  doi          = {10.17188/1665578},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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