Materials Data on Ni2P by Materials Project

doi:10.17188/1183670

Title: Materials Data on Ni2P by Materials Project

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Abstract

Ni2P crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to five P3- atoms to form distorted NiP5 trigonal bipyramids that share corners with six equivalent NiP4 tetrahedra, corners with ten equivalent NiP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent NiP5 trigonal bipyramids. There are one shorter (2.34 Å) and four longer (2.46 Å) Ni–P bond lengths. In the second Ni+1.50+ site, Ni+1.50+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with ten equivalent NiP4 tetrahedra, corners with six equivalent NiP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent NiP5 trigonal bipyramids. There are two shorter (2.21 Å) and two longer (2.27 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 nine Ni+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to nine Ni+1.50+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-21167

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; Ni2P; Ni-P

OSTI Identifier:: 1183670

DOI:: https://doi.org/10.17188/1183670

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                    The Materials Project. Materials Data on Ni2P by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1183670.

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                    The Materials Project. Materials Data on Ni2P by Materials Project.  United States.  doi:https://doi.org/10.17188/1183670

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                    The Materials Project. 2020.  
"Materials Data on Ni2P by Materials Project".  United States.  doi:https://doi.org/10.17188/1183670.  https://www.osti.gov/servlets/purl/1183670. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1183670,

  title        = {Materials Data on Ni2P by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni2P crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to five P3- atoms to form distorted NiP5 trigonal bipyramids that share corners with six equivalent NiP4 tetrahedra, corners with ten equivalent NiP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent NiP5 trigonal bipyramids. There are one shorter (2.34 Å) and four longer (2.46 Å) Ni–P bond lengths. In the second Ni+1.50+ site, Ni+1.50+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with ten equivalent NiP4 tetrahedra, corners with six equivalent NiP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent NiP5 trigonal bipyramids. There are two shorter (2.21 Å) and two longer (2.27 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 nine Ni+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to nine Ni+1.50+ atoms.},

  doi          = {10.17188/1183670},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1183670

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