Materials Data on TaRu3C by Materials Project

doi:10.17188/1197342

Title: Materials Data on TaRu3C by Materials Project

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Abstract

TaCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Ru atoms to form TaRu12 cuboctahedra that share corners with twelve equivalent TaRu12 cuboctahedra, faces with six equivalent TaRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Ta–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted linear geometry to four equivalent Ta and two equivalent C atoms. Both Ru–C bond lengths are 2.03 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 TaRu12 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-22087

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; TaRu3C; C-Ru-Ta

OSTI Identifier:: 1197342

DOI:: https://doi.org/10.17188/1197342

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                    The Materials Project. Materials Data on TaRu3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197342.

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                    The Materials Project. Materials Data on TaRu3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1197342

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                    The Materials Project. 2020.  
"Materials Data on TaRu3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1197342.  https://www.osti.gov/servlets/purl/1197342. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197342,

  title        = {Materials Data on TaRu3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Ru atoms to form TaRu12 cuboctahedra that share corners with twelve equivalent TaRu12 cuboctahedra, faces with six equivalent TaRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Ta–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted linear geometry to four equivalent Ta and two equivalent C atoms. Both Ru–C bond lengths are 2.03 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 TaRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1197342},

  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/10.17188/1197342

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