Materials Data on LiNiP by Materials Project

doi:10.17188/1289455

Title: Materials Data on LiNiP by Materials Project

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Abstract

LiNiP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to five equivalent P3- atoms to form distorted LiP5 trigonal bipyramids that share corners with twelve equivalent NiP4 tetrahedra, corners with four equivalent LiP5 trigonal bipyramids, edges with four equivalent NiP4 tetrahedra, and edges with eight equivalent LiP5 trigonal bipyramids. There are one shorter (2.57 Å) and four longer (2.73 Å) Li–P bond lengths. Ni2+ is bonded to four equivalent P3- atoms to form NiP4 tetrahedra that share corners with four equivalent NiP4 tetrahedra, corners with twelve equivalent LiP5 trigonal bipyramids, edges with four equivalent NiP4 tetrahedra, and edges with four equivalent LiP5 trigonal bipyramids. All Ni–P bond lengths are 2.26 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-754516

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; LiNiP; Li-Ni-P

OSTI Identifier:: 1289455

DOI:: https://doi.org/10.17188/1289455

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                    The Materials Project. Materials Data on LiNiP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289455.

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                    The Materials Project. Materials Data on LiNiP by Materials Project.  United States.  doi:https://doi.org/10.17188/1289455

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                    The Materials Project. 2020.  
"Materials Data on LiNiP by Materials Project".  United States.  doi:https://doi.org/10.17188/1289455.  https://www.osti.gov/servlets/purl/1289455. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1289455,

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

  author       = {The Materials Project},

  abstractNote = {LiNiP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to five equivalent P3- atoms to form distorted LiP5 trigonal bipyramids that share corners with twelve equivalent NiP4 tetrahedra, corners with four equivalent LiP5 trigonal bipyramids, edges with four equivalent NiP4 tetrahedra, and edges with eight equivalent LiP5 trigonal bipyramids. There are one shorter (2.57 Å) and four longer (2.73 Å) Li–P bond lengths. Ni2+ is bonded to four equivalent P3- atoms to form NiP4 tetrahedra that share corners with four equivalent NiP4 tetrahedra, corners with twelve equivalent LiP5 trigonal bipyramids, edges with four equivalent NiP4 tetrahedra, and edges with four equivalent LiP5 trigonal bipyramids. All Ni–P bond lengths are 2.26 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Ni2+ atoms.},

  doi          = {10.17188/1289455},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289455

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