Inorganic Solid Phases

Na3.17Zr1.93Si1.9P1.1O12 (Na3Zr2[SiO4]2[PO4] rt, T = 446 K) 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): diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, SEPD (determination of structural parameters), neutrons (determination of cell and structural parameters), T = 446 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 288 reflections, R = 0.023; RP = 0.083; wRP = 0.041
  • Sample Detail(s): sample prepared from NASICON, X-ray fluorescence spectroscopy; Na16.06O58.86P5.44Si9.43Zr10.21, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3.17Zr1.93[SiO4]1.9[PO4]1.1
  • Alphabetic Formula: Na3.17[PO4]1.1[SiO4]1.9Zr1.93
  • Published Formula: Na3.17Zr1.93Si1.9P1.1O12
  • Refined Formula: Na2.24O12P1.09Si1.91Zr1.88
  • Wyckoff Sequence: 15,f9e2d
  • Z Formula Units: 4
  • Density: ρ = 3.23 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

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1800549

  • 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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