Inorganic Solid Phases

[H3O+]Zr2[PO4]3 ([H3O]Zr2[PO4]3 rt, T = 15 K) Crystal Structure

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General Information

  • Phase Label(s): [H3O]Zr2[PO4]3 rt
  • Structure Class(es): Nasicon family
  • Classification by Properties: semiconductor
  • Mineral Name(s): –
  • Pearson Symbol: hR108
  • Space Group: 167
  • Phase Prototype: NaZr2[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source IPNS, GPPD (determination of structural parameters), neutrons (determination of cell and structural parameters), T = 15 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 1116 reflections, RP = 0.1042; wRP = 0.0125
  • Sample Detail(s): sample prepared from HZr2[PO4]3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [H3O]Zr2[PO4]3
  • Alphabetic Formula: [H3O][PO4]3Zr2
  • Published Formula: [H3O+]Zr2[PO4]3
  • Refined Formula: H3O13P3Zr2
  • Wyckoff Sequence: 167,f2ecb
  • Z Formula Units: 6
  • Density: ρ = 3.08 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1420251

  • 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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