Inorganic Solid Phases

Na2.88(Na0.32Zr1.68)Si1.84P1.16O11.54 (Na3Zr2[SiO4]2[PO4] rt) Crystal Structure

General Information

  • Phase Label(s): Na3Zr2[SiO4]2[PO4] rt
  • Structure Class(es): Nasicon family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS84
  • Space Group: 15
  • Phase Prototype: Na3Zr2[SiO4]2[PO4]
  • Measurement Detail(s): automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, GPPD (determination of structural parameters), neutrons, time-of-flight (determination of structural parameters), T = 295 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 997 reflections, RP = 0.0664; wRP = 0.0285
  • Sample Detail(s): sample prepared from Zr3[PO4]4, Na2SiO3, X-ray fluorescence spectroscopy; Na17.0O59.1P5.7Si10.0Zr8.5, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3.20Zr1.68[SiO4]1.84[PO4]1.16
  • Alphabetic Formula: Na3.20[PO4]1.16[SiO4]1.84Zr1.68
  • Published Formula: Na2.88(Na0.32Zr1.68)Si1.84P1.16O11.54
  • Refined Formula: Na3.20O12P1.16Si1.84Zr1.67
  • Wyckoff Sequence: 15,f9e2d
  • Z Formula Units: 4
  • Density: ρ = 3.11 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2041774

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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