Materials Data on Ni2Mo4C by Materials Project

doi:10.17188/1196979

Title: Materials Data on Ni2Mo4C by Materials Project

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Abstract

Mo4Ni2C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 2-coordinate geometry to four equivalent Ni and two equivalent C atoms. There are two shorter (2.69 Å) and two longer (2.89 Å) Mo–Ni bond lengths. Both Mo–C bond lengths are 2.13 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six equivalent Ni atoms. All Mo–Ni bond lengths are 2.45 Å. Ni is bonded in a 12-coordinate geometry to nine Mo and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.65 Å. C is bonded to six equivalent Mo atoms to form corner-sharing CMo6 octahedra. The corner-sharing octahedral tilt angles are 40°.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-21536

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; Ni2Mo4C; C-Mo-Ni

OSTI Identifier:: 1196979

DOI:: https://doi.org/10.17188/1196979

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                    The Materials Project. Materials Data on Ni2Mo4C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196979.

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                    The Materials Project. Materials Data on Ni2Mo4C by Materials Project.  United States.  doi:https://doi.org/10.17188/1196979

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                    The Materials Project. 2020.  
"Materials Data on Ni2Mo4C by Materials Project".  United States.  doi:https://doi.org/10.17188/1196979.  https://www.osti.gov/servlets/purl/1196979. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1196979,

  title        = {Materials Data on Ni2Mo4C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mo4Ni2C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 2-coordinate geometry to four equivalent Ni and two equivalent C atoms. There are two shorter (2.69 Å) and two longer (2.89 Å) Mo–Ni bond lengths. Both Mo–C bond lengths are 2.13 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six equivalent Ni atoms. All Mo–Ni bond lengths are 2.45 Å. Ni is bonded in a 12-coordinate geometry to nine Mo and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.65 Å. C is bonded to six equivalent Mo atoms to form corner-sharing CMo6 octahedra. The corner-sharing octahedral tilt angles are 40°.},

  doi          = {10.17188/1196979},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1196979

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