Materials Data on Na3Al2(PO4)3 by Materials Project

doi:10.17188/1350668

Title: Materials Data on Na3Al2(PO4)3 by Materials Project

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Abstract

Na3Al2(PO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.50 Å) Na–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Al–O bond lengths are 1.94 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 41°. All P–O bond lengths are 1.56 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Al3+, and one P5+ atom.

Publication Date:: Mon Jun 01 04:00:00 UTC 2020

Other Number(s):: mp-1020161

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; Al-Na-O-P; Na3Al2(PO4)3; crystal structure

OSTI Identifier:: 1350668

DOI:: https://doi.org/10.17188/1350668

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                    Materials Data on Na3Al2(PO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350668.

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                    Materials Data on Na3Al2(PO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350668

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                    2020.  
"Materials Data on Na3Al2(PO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350668.  https://www.osti.gov/servlets/purl/1350668. Pub date:Mon Jun 01 04:00:00 UTC 2020

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@article{osti_1350668,

  title        = {Materials Data on Na3Al2(PO4)3 by Materials Project},

  
  abstractNote = {Na3Al2(PO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.50 Å) Na–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Al–O bond lengths are 1.94 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 41°. All P–O bond lengths are 1.56 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Al3+, and one P5+ atom.},

  doi          = {10.17188/1350668},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jun 01 04:00:00 UTC 2020},

  month        = {Mon Jun 01 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1350668

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