Materials Data on LiPO4 by Materials Project

doi:10.17188/1742038

Title: Materials Data on LiPO4 by Materials Project

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Abstract

LiPO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li is bonded to four O atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.86–2.45 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent PO4 tetrahedra and corners with three equivalent LiO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Li and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Li atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1189919

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; LiPO4; Li-O-P

OSTI Identifier:: 1742038

DOI:: https://doi.org/10.17188/1742038

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                    The Materials Project. Materials Data on LiPO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1742038.

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                    The Materials Project. Materials Data on LiPO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1742038

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                    The Materials Project. 2020.  
"Materials Data on LiPO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1742038.  https://www.osti.gov/servlets/purl/1742038. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1742038,

  title        = {Materials Data on LiPO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiPO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li is bonded to four O atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.86–2.45 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent PO4 tetrahedra and corners with three equivalent LiO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Li and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Li atom.},

  doi          = {10.17188/1742038},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1742038

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