Materials Data on NiMoP2 by Materials Project

doi:10.17188/1186816

Title: Materials Data on NiMoP2 by Materials Project

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Abstract

NiMoP2 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 NiP6 octahedra, edges with six equivalent MoP6 pentagonal pyramids, and faces with two equivalent NiP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mo–P bond lengths are 2.47 Å. Ni2+ is bonded to six equivalent P3- atoms to form NiP6 octahedra that share corners with twelve equivalent MoP6 pentagonal pyramids, edges with six equivalent NiP6 octahedra, and faces with two equivalent MoP6 pentagonal pyramids. All Ni–P bond lengths are 2.31 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-10208

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; NiMoP2; Mo-Ni-P

OSTI Identifier:: 1186816

DOI:: https://doi.org/10.17188/1186816

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                    The Materials Project. Materials Data on NiMoP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186816.

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                    The Materials Project. Materials Data on NiMoP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1186816

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                    The Materials Project. 2020.  
"Materials Data on NiMoP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1186816.  https://www.osti.gov/servlets/purl/1186816. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1186816,

  title        = {Materials Data on NiMoP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiMoP2 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 NiP6 octahedra, edges with six equivalent MoP6 pentagonal pyramids, and faces with two equivalent NiP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mo–P bond lengths are 2.47 Å. Ni2+ is bonded to six equivalent P3- atoms to form NiP6 octahedra that share corners with twelve equivalent MoP6 pentagonal pyramids, edges with six equivalent NiP6 octahedra, and faces with two equivalent MoP6 pentagonal pyramids. All Ni–P bond lengths are 2.31 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Ni2+ atoms.},

  doi          = {10.17188/1186816},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1186816

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