Materials Data on NiP2 by Materials Project

doi:10.17188/1198828

Title: Materials Data on NiP2 by Materials Project

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Abstract

NiP2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent P1- atoms to form NiP6 octahedra that share corners with twelve equivalent NiP6 octahedra and corners with six equivalent PNi3P tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Ni–P bond lengths are 2.28 Å. P1- is bonded to three equivalent Ni2+ and one P1- atom to form distorted PNi3P tetrahedra that share corners with three equivalent NiP6 octahedra and corners with fifteen equivalent PNi3P tetrahedra. The corner-sharing octahedral tilt angles are 78°. The P–P bond length is 2.19 Å.

Publication Date:: 2020-07-14

Other Number(s):: mp-22619

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; Ni-P; NiP2

OSTI Identifier:: 1198828

DOI:: https://doi.org/10.17188/1198828

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                    Materials Data on NiP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198828.

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                    Materials Data on NiP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198828

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                    2020.  
"Materials Data on NiP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198828.  https://www.osti.gov/servlets/purl/1198828. Pub date:Tue Jul 14 20:00:00 EDT 2020

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@article{osti_1198828,

  title        = {Materials Data on NiP2 by Materials Project},

  
  abstractNote = {NiP2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent P1- atoms to form NiP6 octahedra that share corners with twelve equivalent NiP6 octahedra and corners with six equivalent PNi3P tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Ni–P bond lengths are 2.28 Å. P1- is bonded to three equivalent Ni2+ and one P1- atom to form distorted PNi3P tetrahedra that share corners with three equivalent NiP6 octahedra and corners with fifteen equivalent PNi3P tetrahedra. The corner-sharing octahedral tilt angles are 78°. The P–P bond length is 2.19 Å.},

  doi          = {10.17188/1198828},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1198828

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