Materials Data on LiCuPO4 by Materials Project

doi:10.17188/1201177

Title: Materials Data on LiCuPO4 by Materials Project

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Abstract

LiCuPO4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra and corners with four equivalent CuO4 trigonal pyramids. All Li–O bond lengths are 2.01 Å. Cu2+ is bonded to four equivalent O2- atoms to form distorted CuO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra and corners with four equivalent LiO4 trigonal pyramids. All Cu–O bond lengths are 1.99 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 trigonal pyramids and corners with four equivalent CuO4 trigonal pyramids. All P–O bond lengths are 1.56 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom.

Publication Date:: 2020-05-04

Other Number(s):: mp-26477

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-Li-O-P; LiCuPO4; crystal structure

OSTI Identifier:: 1201177

DOI:: https://doi.org/10.17188/1201177

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                    Materials Data on LiCuPO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201177.

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                    Materials Data on LiCuPO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201177

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                    2020.  
"Materials Data on LiCuPO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201177.  https://www.osti.gov/servlets/purl/1201177. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1201177,

  title        = {Materials Data on LiCuPO4 by Materials Project},

  
  abstractNote = {LiCuPO4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra and corners with four equivalent CuO4 trigonal pyramids. All Li–O bond lengths are 2.01 Å. Cu2+ is bonded to four equivalent O2- atoms to form distorted CuO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra and corners with four equivalent LiO4 trigonal pyramids. All Cu–O bond lengths are 1.99 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 trigonal pyramids and corners with four equivalent CuO4 trigonal pyramids. All P–O bond lengths are 1.56 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom.},

  doi          = {10.17188/1201177},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1201177

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