Materials Data on LaBRh3 by Materials Project

doi:10.17188/1205233

Title: Materials Data on LaBRh3 by Materials Project

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Abstract

LaRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Rh atoms to form LaRh12 cuboctahedra that share corners with twelve equivalent LaRh12 cuboctahedra, faces with six equivalent LaRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All La–Rh bond lengths are 3.03 Å. Rh is bonded to four equivalent La and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing RhLa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.15 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 LaRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-3088

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; LaBRh3; B-La-Rh

OSTI Identifier:: 1205233

DOI:: https://doi.org/10.17188/1205233

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                    The Materials Project. Materials Data on LaBRh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205233.

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                    The Materials Project. Materials Data on LaBRh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205233

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                    The Materials Project. 2020.  
"Materials Data on LaBRh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205233.  https://www.osti.gov/servlets/purl/1205233. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205233,

  title        = {Materials Data on LaBRh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Rh atoms to form LaRh12 cuboctahedra that share corners with twelve equivalent LaRh12 cuboctahedra, faces with six equivalent LaRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All La–Rh bond lengths are 3.03 Å. Rh is bonded to four equivalent La and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing RhLa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.15 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 LaRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1205233},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205233

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