Materials Data on PrRh3C by Materials Project

doi:10.17188/1187305

Title: Materials Data on PrRh3C by Materials Project

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Abstract

PrRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Rh atoms to form PrRh12 cuboctahedra that share corners with twelve equivalent PrRh12 cuboctahedra, faces with six equivalent PrRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Pr–Rh bond lengths are 3.01 Å. Rh is bonded to four equivalent Pr and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RhPr4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.13 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 PrRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-10708

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; PrRh3C; C-Pr-Rh

OSTI Identifier:: 1187305

DOI:: https://doi.org/10.17188/1187305

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                    The Materials Project. Materials Data on PrRh3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187305.

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                    The Materials Project. Materials Data on PrRh3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1187305

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                    The Materials Project. 2020.  
"Materials Data on PrRh3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1187305.  https://www.osti.gov/servlets/purl/1187305. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187305,

  title        = {Materials Data on PrRh3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Rh atoms to form PrRh12 cuboctahedra that share corners with twelve equivalent PrRh12 cuboctahedra, faces with six equivalent PrRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Pr–Rh bond lengths are 3.01 Å. Rh is bonded to four equivalent Pr and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RhPr4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.13 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 PrRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1187305},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187305

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