Materials Data on SmBRh3 by Materials Project

doi:10.17188/1208538

Title: Materials Data on SmBRh3 by Materials Project

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Abstract

SmRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Rh atoms to form SmRh12 cuboctahedra that share corners with twelve equivalent SmRh12 cuboctahedra, faces with six equivalent SmRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Sm–Rh bond lengths are 3.00 Å. Rh is bonded to four equivalent Sm and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhSm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.12 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent SmRh12 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-4982

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; SmBRh3; B-Rh-Sm

OSTI Identifier:: 1208538

DOI:: https://doi.org/10.17188/1208538

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                    The Materials Project. Materials Data on SmBRh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208538.

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                    The Materials Project. Materials Data on SmBRh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208538

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                    The Materials Project. 2020.  
"Materials Data on SmBRh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208538.  https://www.osti.gov/servlets/purl/1208538. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1208538,

  title        = {Materials Data on SmBRh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Rh atoms to form SmRh12 cuboctahedra that share corners with twelve equivalent SmRh12 cuboctahedra, faces with six equivalent SmRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Sm–Rh bond lengths are 3.00 Å. Rh is bonded to four equivalent Sm and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhSm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.12 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent SmRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1208538},

  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/10.17188/1208538

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