Materials Data on Nb2(PO4)3 by Materials Project

doi:10.17188/1192410

Title: Materials Data on Nb2(PO4)3 by Materials Project

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Abstract

Nb2P3O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.01 Å) and three longer (2.03 Å) Nb–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb+4.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb+4.50+ and one P5+ atom.

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-17242

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; Nb-O-P; Nb2(PO4)3; crystal structure

OSTI Identifier:: 1192410

DOI:: https://doi.org/10.17188/1192410

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                    Materials Data on Nb2(PO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192410.

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                    Materials Data on Nb2(PO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192410

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                    2020.  
"Materials Data on Nb2(PO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192410.  https://www.osti.gov/servlets/purl/1192410. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1192410,

  title        = {Materials Data on Nb2(PO4)3 by Materials Project},

  
  abstractNote = {Nb2P3O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.01 Å) and three longer (2.03 Å) Nb–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb+4.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb+4.50+ and one P5+ atom.},

  doi          = {10.17188/1192410},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192410

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