Materials Data on In(PO4)3 by Materials Project

doi:10.17188/1664098

Title: Materials Data on In(PO4)3 by Materials Project

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Abstract

In(PO4)3 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. In is bonded to six O atoms to form InO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.16 Å) and three longer (2.18 Å) In–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one In and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1212414

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; In(PO4)3; In-O-P; crystal structure

OSTI Identifier:: 1664098

DOI:: https://doi.org/10.17188/1664098

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                    Materials Data on In(PO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664098.

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                    Materials Data on In(PO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664098

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                    2020.  
"Materials Data on In(PO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664098.  https://www.osti.gov/servlets/purl/1664098. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1664098,

  title        = {Materials Data on In(PO4)3 by Materials Project},

  
  abstractNote = {In(PO4)3 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. In is bonded to six O atoms to form InO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.16 Å) and three longer (2.18 Å) In–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one In and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom.},

  doi          = {10.17188/1664098},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1664098

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