Materials Data on LiP(HO)2 by Materials Project

doi:10.17188/1280139

Title: Materials Data on LiP(HO)2 by Materials Project

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Abstract

LiP(HO)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LiP(HO)2 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four equivalent PH2O2 tetrahedra and edges with two equivalent LiO4 tetrahedra. All Li–O bond lengths are 1.98 Å. P5+ is bonded to two equivalent H1- and two O2- atoms to form distorted PH2O2 tetrahedra that share corners with four equivalent LiO4 tetrahedra. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.52 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one P5+ atom.

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-642650

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; H-Li-O-P; LiP(HO)2; crystal structure

OSTI Identifier:: 1280139

DOI:: https://doi.org/10.17188/1280139

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                    Materials Data on LiP(HO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280139.

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                    Materials Data on LiP(HO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280139

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                    2020.  
"Materials Data on LiP(HO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280139.  https://www.osti.gov/servlets/purl/1280139. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1280139,

  title        = {Materials Data on LiP(HO)2 by Materials Project},

  
  abstractNote = {LiP(HO)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LiP(HO)2 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four equivalent PH2O2 tetrahedra and edges with two equivalent LiO4 tetrahedra. All Li–O bond lengths are 1.98 Å. P5+ is bonded to two equivalent H1- and two O2- atoms to form distorted PH2O2 tetrahedra that share corners with four equivalent LiO4 tetrahedra. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.52 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one P5+ atom.},

  doi          = {10.17188/1280139},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280139

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