Materials Data on ScRh3C by Materials Project

doi:10.17188/1187308

Title: Materials Data on ScRh3C by Materials Project

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Abstract

ScRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Rh atoms to form ScRh12 cuboctahedra that share corners with twelve equivalent ScRh12 cuboctahedra, faces with six equivalent ScRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Sc–Rh bond lengths are 2.90 Å. Rh is bonded to four equivalent Sc and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RhSc4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.05 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent ScRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-10712

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; ScRh3C; C-Rh-Sc

OSTI Identifier:: 1187308

DOI:: https://doi.org/10.17188/1187308

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                    The Materials Project. Materials Data on ScRh3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187308.

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                    The Materials Project. Materials Data on ScRh3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1187308

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                    The Materials Project. 2020.  
"Materials Data on ScRh3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1187308.  https://www.osti.gov/servlets/purl/1187308. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187308,

  title        = {Materials Data on ScRh3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Rh atoms to form ScRh12 cuboctahedra that share corners with twelve equivalent ScRh12 cuboctahedra, faces with six equivalent ScRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Sc–Rh bond lengths are 2.90 Å. Rh is bonded to four equivalent Sc and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RhSc4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.05 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent ScRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1187308},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187308

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