Materials Data on ThRu3C by Materials Project

doi:10.17188/1197609

Title: Materials Data on ThRu3C by Materials Project

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Abstract

ThRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ru atoms to form ThRu12 cuboctahedra that share corners with twelve equivalent ThRu12 cuboctahedra, faces with six equivalent ThRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Th–Ru bond lengths are 2.99 Å. Ru is bonded to four equivalent Th and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuTh4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.12 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 ThRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-15

Other Number(s):: mp-22394

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-Ru-Th; crystal structure; ThRu3C

OSTI Identifier:: 1197609

DOI:: https://doi.org/10.17188/1197609

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                    Materials Data on ThRu3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197609.

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                    Materials Data on ThRu3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1197609

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                    2020.  
"Materials Data on ThRu3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1197609.  https://www.osti.gov/servlets/purl/1197609. Pub date:Wed Jul 15 20:00:00 EDT 2020

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@article{osti_1197609,

  title        = {Materials Data on ThRu3C by Materials Project},

  
  abstractNote = {ThRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ru atoms to form ThRu12 cuboctahedra that share corners with twelve equivalent ThRu12 cuboctahedra, faces with six equivalent ThRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Th–Ru bond lengths are 2.99 Å. Ru is bonded to four equivalent Th and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuTh4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.12 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 ThRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1197609},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197609

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