Materials Data on NbRu3C by Materials Project

doi:10.17188/1197580

Title: Materials Data on NbRu3C by Materials Project

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Abstract

NbCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Ru atoms to form NbRu12 cuboctahedra that share corners with twelve equivalent NbRu12 cuboctahedra, faces with six equivalent NbRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Nb–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted linear geometry to four equivalent Nb 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 NbRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-22351

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; NbRu3C; C-Nb-Ru

OSTI Identifier:: 1197580

DOI:: https://doi.org/10.17188/1197580

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                    The Materials Project. Materials Data on NbRu3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197580.

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                    The Materials Project. Materials Data on NbRu3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1197580

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                    The Materials Project. 2020.  
"Materials Data on NbRu3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1197580.  https://www.osti.gov/servlets/purl/1197580. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197580,

  title        = {Materials Data on NbRu3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NbCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Ru atoms to form NbRu12 cuboctahedra that share corners with twelve equivalent NbRu12 cuboctahedra, faces with six equivalent NbRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Nb–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted linear geometry to four equivalent Nb 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 NbRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1197580},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197580

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