Materials Data on CoMoP2 by Materials Project

doi:10.17188/1355446

Title: Materials Data on CoMoP2 by Materials Project

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Abstract

MoCoP2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent P3- atoms to form distorted MoP6 pentagonal pyramids that share corners with twelve equivalent CoP6 octahedra, edges with six equivalent MoP6 pentagonal pyramids, and faces with two equivalent CoP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mo–P bond lengths are 2.48 Å. Co2+ is bonded to six equivalent P3- atoms to form CoP6 octahedra that share corners with twelve equivalent MoP6 pentagonal pyramids, edges with six equivalent CoP6 octahedra, and faces with two equivalent MoP6 pentagonal pyramids. All Co–P bond lengths are 2.26 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Co2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-1025557

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; CoMoP2; Co-Mo-P

OSTI Identifier:: 1355446

DOI:: https://doi.org/10.17188/1355446

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                    The Materials Project. Materials Data on CoMoP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355446.

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                    The Materials Project. Materials Data on CoMoP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355446

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                    The Materials Project. 2020.  
"Materials Data on CoMoP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355446.  https://www.osti.gov/servlets/purl/1355446. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1355446,

  title        = {Materials Data on CoMoP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoCoP2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent P3- atoms to form distorted MoP6 pentagonal pyramids that share corners with twelve equivalent CoP6 octahedra, edges with six equivalent MoP6 pentagonal pyramids, and faces with two equivalent CoP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mo–P bond lengths are 2.48 Å. Co2+ is bonded to six equivalent P3- atoms to form CoP6 octahedra that share corners with twelve equivalent MoP6 pentagonal pyramids, edges with six equivalent CoP6 octahedra, and faces with two equivalent MoP6 pentagonal pyramids. All Co–P bond lengths are 2.26 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Co2+ atoms.},

  doi          = {10.17188/1355446},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1355446

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