Materials Data on LuRu3C by Materials Project

doi:10.17188/1751410

Title: Materials Data on LuRu3C by Materials Project

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Abstract

LuRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ru atoms to form LuRu12 cuboctahedra that share corners with twelve equivalent LuRu12 cuboctahedra, faces with six equivalent LuRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Lu–Ru bond lengths are 2.92 Å. Ru is bonded to four equivalent Lu and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuLu4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.07 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent LuRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207093

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; LuRu3C; C-Lu-Ru

OSTI Identifier:: 1751410

DOI:: https://doi.org/10.17188/1751410

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                    The Materials Project. Materials Data on LuRu3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751410.

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                    The Materials Project. Materials Data on LuRu3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1751410

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                    The Materials Project. 2020.  
"Materials Data on LuRu3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1751410.  https://www.osti.gov/servlets/purl/1751410. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751410,

  title        = {Materials Data on LuRu3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ru atoms to form LuRu12 cuboctahedra that share corners with twelve equivalent LuRu12 cuboctahedra, faces with six equivalent LuRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Lu–Ru bond lengths are 2.92 Å. Ru is bonded to four equivalent Lu and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuLu4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.07 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent LuRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1751410},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751410

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