Materials Data on CoNiP by Materials Project

doi:10.17188/1711573

Title: Materials Data on CoNiP by Materials Project

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Abstract

CoNiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Co1+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with ten equivalent CoP4 tetrahedra, corners with six equivalent NiP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent NiP5 trigonal bipyramids. There are two shorter (2.17 Å) and two longer (2.25 Å) Co–P bond lengths. Ni2+ is bonded to five P3- atoms to form distorted NiP5 trigonal bipyramids that share corners with six equivalent CoP4 tetrahedra, corners with ten equivalent NiP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent NiP5 trigonal bipyramids. There are one shorter (2.30 Å) and four longer (2.44 Å) Ni–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Co1+ and three equivalent Ni2+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Co1+ and six equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1226037

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; CoNiP; Co-Ni-P

OSTI Identifier:: 1711573

DOI:: https://doi.org/10.17188/1711573

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                    The Materials Project. Materials Data on CoNiP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711573.

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                    The Materials Project. Materials Data on CoNiP by Materials Project.  United States.  doi:https://doi.org/10.17188/1711573

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                    The Materials Project. 2020.  
"Materials Data on CoNiP by Materials Project".  United States.  doi:https://doi.org/10.17188/1711573.  https://www.osti.gov/servlets/purl/1711573. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1711573,

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

  author       = {The Materials Project},

  abstractNote = {CoNiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Co1+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with ten equivalent CoP4 tetrahedra, corners with six equivalent NiP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent NiP5 trigonal bipyramids. There are two shorter (2.17 Å) and two longer (2.25 Å) Co–P bond lengths. Ni2+ is bonded to five P3- atoms to form distorted NiP5 trigonal bipyramids that share corners with six equivalent CoP4 tetrahedra, corners with ten equivalent NiP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent NiP5 trigonal bipyramids. There are one shorter (2.30 Å) and four longer (2.44 Å) Ni–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Co1+ and three equivalent Ni2+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Co1+ and six equivalent Ni2+ atoms.},

  doi          = {10.17188/1711573},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1711573

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