Materials Data on VRu3C by Materials Project

doi:10.17188/1197206

Title: Materials Data on VRu3C by Materials Project

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Abstract

VCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to twelve equivalent Ru atoms to form VRu12 cuboctahedra that share corners with twelve equivalent VRu12 cuboctahedra, faces with six equivalent VRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All V–Ru bond lengths are 2.83 Å. Ru is bonded in a distorted linear geometry to four equivalent V and two equivalent C atoms. Both Ru–C bond lengths are 2.00 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 VRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-21862

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; VRu3C; C-Ru-V

OSTI Identifier:: 1197206

DOI:: https://doi.org/10.17188/1197206

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                    The Materials Project. Materials Data on VRu3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197206.

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                    The Materials Project. Materials Data on VRu3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1197206

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                    The Materials Project. 2020.  
"Materials Data on VRu3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1197206.  https://www.osti.gov/servlets/purl/1197206. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197206,

  title        = {Materials Data on VRu3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {VCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to twelve equivalent Ru atoms to form VRu12 cuboctahedra that share corners with twelve equivalent VRu12 cuboctahedra, faces with six equivalent VRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All V–Ru bond lengths are 2.83 Å. Ru is bonded in a distorted linear geometry to four equivalent V and two equivalent C atoms. Both Ru–C bond lengths are 2.00 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 VRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1197206},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197206

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