Inorganic Solid Phases

Zn3[Fe(CN)6]2·14H2O (ZnFe0.67[CN]4[H2O]4.67) Crystal Structure

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General Information

  • Phase Label(s): ZnFe0.67[CN]4[H2O]4.67
  • Structure Class(es): Nasicon family, Prussian blue
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF160
  • Space Group: 225
  • Phase Prototype: Fe0.67Co[CN]4[H2O]4
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; I > 2σ(I), R = 0.016
  • Sample Detail(s): sample prepared from Na3Fe[CN]6, Zn tartrate, chemical analysis, thermogravimetry; Na0.334K0.035Zn2.80(Fe1.02[CN]6)2[H2O]14, single crystal (determination of cell parameters), single crystal, 0.130 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: ZnFe0.67[CN]4[H2O]4.67
  • Alphabetic Formula: [CN]4Fe0.67[H2O]4.67Zn
  • Published Formula: Zn3[Fe(CN)6]2·14H2O
  • Refined Formula: C4Fe0.67H9.61N4O4.80Zn
  • Wyckoff Sequence: 225,f2e3cba
  • Z Formula Units: 4
  • Density: ρ = 1.75 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_1901536

  • 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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