Materials Data on Li(CuP)2 by Materials Project

doi:10.17188/1287646

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

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Abstract

LiCu2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to eight equivalent P2- atoms to form LiP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent LiP8 hexagonal bipyramids, edges with eight equivalent CuP4 tetrahedra, and faces with four equivalent LiP8 hexagonal bipyramids. All Li–P bond lengths are 2.95 Å. Cu+1.50+ is bonded to four equivalent P2- atoms to form CuP4 tetrahedra that share corners with eight equivalent LiP8 hexagonal bipyramids, corners with four equivalent CuP4 tetrahedra, edges with four equivalent LiP8 hexagonal bipyramids, and edges with four equivalent CuP4 tetrahedra. All Cu–P bond lengths are 2.34 Å. P2- is bonded in a 9-coordinate geometry to four equivalent Li1+, four equivalent Cu+1.50+, and one P2- atom. The P–P bond length is 2.15 Å.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-7298

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(CuP)2; Cu-Li-P

OSTI Identifier:: 1287646

DOI:: https://doi.org/10.17188/1287646

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                    The Materials Project. Materials Data on Li(CuP)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287646.

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                    The Materials Project. Materials Data on Li(CuP)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287646

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                    The Materials Project. 2020.  
"Materials Data on Li(CuP)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287646.  https://www.osti.gov/servlets/purl/1287646. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1287646,

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

  author       = {The Materials Project},

  abstractNote = {LiCu2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to eight equivalent P2- atoms to form LiP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent LiP8 hexagonal bipyramids, edges with eight equivalent CuP4 tetrahedra, and faces with four equivalent LiP8 hexagonal bipyramids. All Li–P bond lengths are 2.95 Å. Cu+1.50+ is bonded to four equivalent P2- atoms to form CuP4 tetrahedra that share corners with eight equivalent LiP8 hexagonal bipyramids, corners with four equivalent CuP4 tetrahedra, edges with four equivalent LiP8 hexagonal bipyramids, and edges with four equivalent CuP4 tetrahedra. All Cu–P bond lengths are 2.34 Å. P2- is bonded in a 9-coordinate geometry to four equivalent Li1+, four equivalent Cu+1.50+, and one P2- atom. The P–P bond length is 2.15 Å.},

  doi          = {10.17188/1287646},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1287646

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