Materials Data on Li(NiP)2 by Materials Project

doi:10.17188/1282019

Title: Materials Data on Li(NiP)2 by Materials Project

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Abstract

Li(NiP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to eight equivalent P+2.50- atoms to form LiP8 hexagonal bipyramids that share corners with sixteen equivalent NiP4 tetrahedra, edges with four equivalent LiP8 hexagonal bipyramids, edges with eight equivalent NiP4 tetrahedra, and faces with four equivalent LiP8 hexagonal bipyramids. All Li–P bond lengths are 2.88 Å. Ni2+ is bonded to four equivalent P+2.50- atoms to form NiP4 tetrahedra that share corners with eight equivalent LiP8 hexagonal bipyramids, corners with four equivalent NiP4 tetrahedra, edges with four equivalent LiP8 hexagonal bipyramids, and edges with four equivalent NiP4 tetrahedra. All Ni–P bond lengths are 2.24 Å. P+2.50- is bonded in a 9-coordinate geometry to four equivalent Li1+, four equivalent Ni2+, and one P+2.50- atom. The P–P bond length is 2.16 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-8310

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; Li(NiP)2; Li-Ni-P

OSTI Identifier:: 1282019

DOI:: https://doi.org/10.17188/1282019

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                    The Materials Project. Materials Data on Li(NiP)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282019.

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                    The Materials Project. Materials Data on Li(NiP)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282019

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                    The Materials Project. 2020.  
"Materials Data on Li(NiP)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282019.  https://www.osti.gov/servlets/purl/1282019. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1282019,

  title        = {Materials Data on Li(NiP)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li(NiP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to eight equivalent P+2.50- atoms to form LiP8 hexagonal bipyramids that share corners with sixteen equivalent NiP4 tetrahedra, edges with four equivalent LiP8 hexagonal bipyramids, edges with eight equivalent NiP4 tetrahedra, and faces with four equivalent LiP8 hexagonal bipyramids. All Li–P bond lengths are 2.88 Å. Ni2+ is bonded to four equivalent P+2.50- atoms to form NiP4 tetrahedra that share corners with eight equivalent LiP8 hexagonal bipyramids, corners with four equivalent NiP4 tetrahedra, edges with four equivalent LiP8 hexagonal bipyramids, and edges with four equivalent NiP4 tetrahedra. All Ni–P bond lengths are 2.24 Å. P+2.50- is bonded in a 9-coordinate geometry to four equivalent Li1+, four equivalent Ni2+, and one P+2.50- atom. The P–P bond length is 2.16 Å.},

  doi          = {10.17188/1282019},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1282019

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