Inorganic Solid Phases

K2/3Cu[Fe(CN)6]0.68(1)·2.2(1)H2O; K2x/3Cu[Fe(CN)6]2/3·nH2O, x= 1.0 (K0.67CuFe0.67[CN]4[H2O]2.2) Crystal Structure

General Information

  • Phase Label(s): K0.67CuFe0.67[CN]4[H2O]2.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF168
  • Space Group: 225
  • Phase Prototype: CuFe0.67[CN]4[H2O]1.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, ID22 (determination of structural parameters), X-rays, synchrotron; λ = 0.04009 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, RP = 0.035; wRP = 0.044; RB = 0.015
  • Sample Detail(s): sample prepared from Cu[NO3]2, K3Fe[CN]6, inductive coupled plasma method, thermogravimetry (TGA); K/Fe/Cu/O ratio 0.61(3)/0.64(3)/1/3.3(4); 3.8(5) H2O per Cu atom, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.67CuFe0.67[CN]4[H2O]2.2
  • Alphabetic Formula: [CN]4CuFe0.67[H2O]2.2K0.67
  • Published Formula: K2/3Cu[Fe(CN)6]0.68(1)·2.2(1)H2O; K2x/3Cu[Fe(CN)6]2/3·nH2O, x= 1.0
  • Refined Formula: C4.08CuFe0.68H4.44K0.68N4.08O2.22
  • Wyckoff Sequence: 225,gfe3cba
  • Z Formula Units: 4
  • Density: ρ = 1.77 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_1645072

  • 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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