Inorganic Solid Phases

(Co2+)3−x(Co3+)x[(Fe3+)2−x(Fe2+)x(CN)12]·12H2O (Fe0.67Co[CN]4[H2O]4) Crystal Structure

General Information

  • Phase Label(s): Fe0.67Co[CN]4[H2O]4
  • Structure Class(es): Nasicon family, Prussian blue
  • Classification by Properties: ferromagnet FM, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: cF120
  • Space Group: 225
  • Phase Prototype: MnCo0.67[CN]4[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 (determination of structural parameters), X-rays, Cu Kα1, Cu Kα2; λ = 0.1540562 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 92 reflections, wRP = 0.0833; RB = 0.0777
  • Sample Detail(s): sample prepared from Co3[Fe[CN]6]2[H2O]x, Co3Fe2, infrared spectroscopy, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe0.667Co[CN]4[H2O]4
  • Alphabetic Formula: [CN]4CoFe0.667[H2O]4
  • Published Formula: (Co2+)3−x(Co3+)x[(Fe3+)2−x(Fe2+)x(CN)12]·12H2O
  • Refined Formula: C4CoFe0.67H8.49N4O4.25
  • Wyckoff Sequence: 225,fe3cba
  • Z Formula Units: 4
  • Density: ρ = 1.76 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
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_1621268

  • 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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