Inorganic Solid Phases

Na4(H3O)[Na(HPO4)2(PO4)4Mo18O49]·16H2O (H2Na5[H3O]Mo18[PO4]6O49[H2O]16) Crystal Structure

General Information

  • Phase Label(s): H2Na5[H3O]Mo18[PO4]6O49[H2O]16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP238
  • Space Group: 4
  • Phase Prototype: H2Na5[H3O]Mo18[PO4]6O49[H2O]16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 6643 reflections; I > 2σ(I), R = 0.0500; wR = 0.1535
  • Sample Detail(s): sample prepared from Na2MoO4, H3PO4, ZnSO4[H2O]7, HCl, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H2Na5[H3O]Mo18[PO4]6O49[H2O]16
  • Alphabetic Formula: H2[H2O]16[H3O]Mo18Na5O49[PO4]6
  • Published Formula: Na4(H3O)[Na(HPO4)2(PO4)4Mo18O49]·16H2O
  • Refined Formula: H36Mo18Na5O90P6
  • Wyckoff Sequence: 4,a119
  • Z Formula Units: 2
  • Density: ρ = 3.07 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1721521

  • 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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