Inorganic Solid Phases

Na1+xZr2SixP3−xO12, x= 0.11 (Na1.11Zr2[SiO4]0.11[PO4]2.89) Crystal Structure

General Information

  • Phase Label(s): Na1.11Zr2[SiO4]0.11[PO4]2.89
  • Structure Class(es): Nasicon family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR144
  • Space Group: 167
  • Phase Prototype: Na1.12Zr2[(Si0.04P0.96)O4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.07093 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement; 201 reflections; I > 2σ(I), R = 0.009; wR = 0.011
  • Sample Detail(s): sample prepared from Na2CO3, ZrO2, NH4H2PO4, SiO2, electron microprobe analysis; Si/P ratio analyzed, single crystal (determination of cell parameters), single crystal, 0.100 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.11Zr2[SiO4]0.11[PO4]2.89
  • Alphabetic Formula: Na1.11[PO4]2.89[SiO4]0.11Zr2
  • Published Formula: Na1+xZr2SixP3−xO12, x= 0.11
  • Refined Formula: Na1.10O12P2.89Si0.11Zr2
  • Wyckoff Sequence: 167,f3ecb
  • Z Formula Units: 6
  • Density: ρ = 3.20 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_1813431

  • 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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