Inorganic Solid Phases

Na2H2P2O6·6H2O (H2Na2[P2O6][H2O]6) Crystal Structure

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General Information

  • Phase Label(s): H2Na2[P2O6][H2O]6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS64
  • Space Group: 15
  • Phase Prototype: H2Na2[P2O6][H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070926 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hypophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1144 reflections; I > 2.5σ(I), R = 0.037
  • Sample Detail(s): sample prepared from NaClO2, P red, flame spectroscopy; 14.41 % Na; 6.02 H2O per formula unit from weight loss on heating; < 5 % pyrophosphate detected by thin-layer chromatography, single crystal (determination of cell parameters), twinned crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: H2Na2[P2O6][H2O]6
  • Alphabetic Formula: H2[H2O]6Na2[P2O6]
  • Published Formula: Na2H2P2O6·6H2O
  • Refined Formula: H14Na2O12P2
  • Wyckoff Sequence: 15,f8
  • Z Formula Units: 4
  • Density: ρ = 1.85 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
U11 [nm2]
U22 [nm2]
U33 [nm2]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1100019

  • 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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