Inorganic Solid Phases

Na2.6Zr2Si1.6P1.4O12 (Na3Zr2[SiO4]2[PO4] ht, T = 593 K) Crystal Structure

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General Information

  • Phase Label(s): Na3Zr2[SiO4]2[PO4] ht
  • Structure Class(es): Nasicon family
  • Classification by Properties: ionic conductor
  • Mineral Name(s): –
  • Pearson Symbol: hR126
  • Space Group: 167
  • Phase Prototype: Na4Zr2[SiO4]3
  • Measurement Detail(s): automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR (determination of structural parameters), neutrons; λ = 0.15500 nm (determination of structural parameters), T = 593 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 51 variables, wRP = 0.0841; RB = 0.1061
  • Sample Detail(s): sample prepared from [NH4]2HPO4, Na2CO3, SiO2, ZrO2, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.6Zr2[SiO4]1.6[PO4]1.4
  • Alphabetic Formula: Na2.6[PO4]1.4[SiO4]1.6Zr2
  • Published Formula: Na2.6Zr2Si1.6P1.4O12
  • Refined Formula: Na2.59O12P1.40Si1.60Zr2
  • Wyckoff Sequence: 167,f2e2cb
  • Z Formula Units: 6
  • Density: ρ = 3.21 Mg·m−3
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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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2080062

  • 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)

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