Materials Data on Mo2Ir2C by Materials Project

doi:10.17188/1743853

Title: Materials Data on Mo2Ir2C by Materials Project

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Abstract

Mo2Ir2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo is bonded to nine equivalent Mo and three equivalent Ir atoms to form MoMo9Ir3 cuboctahedra that share corners with six equivalent MoMo9Ir3 cuboctahedra, corners with six equivalent CIr6 octahedra, edges with twelve equivalent MoMo9Ir3 cuboctahedra, faces with twelve equivalent MoMo9Ir3 cuboctahedra, and a faceface with one CIr6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are six shorter (2.85 Å) and three longer (2.95 Å) Mo–Mo bond lengths. All Mo–Ir bond lengths are 2.78 Å. Ir is bonded in a 3-coordinate geometry to three equivalent Mo and three equivalent C atoms. All Ir–C bond lengths are 2.14 Å. C is bonded to six equivalent Ir atoms to form CIr6 octahedra that share corners with twelve equivalent MoMo9Ir3 cuboctahedra, edges with six equivalent CIr6 octahedra, and faces with two equivalent MoMo9Ir3 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1221512

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; Mo2Ir2C; C-Ir-Mo

OSTI Identifier:: 1743853

DOI:: https://doi.org/10.17188/1743853

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                    The Materials Project. Materials Data on Mo2Ir2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743853.

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                    The Materials Project. Materials Data on Mo2Ir2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1743853

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                    The Materials Project. 2020.  
"Materials Data on Mo2Ir2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1743853.  https://www.osti.gov/servlets/purl/1743853. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1743853,

  title        = {Materials Data on Mo2Ir2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mo2Ir2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo is bonded to nine equivalent Mo and three equivalent Ir atoms to form MoMo9Ir3 cuboctahedra that share corners with six equivalent MoMo9Ir3 cuboctahedra, corners with six equivalent CIr6 octahedra, edges with twelve equivalent MoMo9Ir3 cuboctahedra, faces with twelve equivalent MoMo9Ir3 cuboctahedra, and a faceface with one CIr6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are six shorter (2.85 Å) and three longer (2.95 Å) Mo–Mo bond lengths. All Mo–Ir bond lengths are 2.78 Å. Ir is bonded in a 3-coordinate geometry to three equivalent Mo and three equivalent C atoms. All Ir–C bond lengths are 2.14 Å. C is bonded to six equivalent Ir atoms to form CIr6 octahedra that share corners with twelve equivalent MoMo9Ir3 cuboctahedra, edges with six equivalent CIr6 octahedra, and faces with two equivalent MoMo9Ir3 cuboctahedra.},

  doi          = {10.17188/1743853},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1743853

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