Inorganic Solid Phases

Cs2Zn3[Fe(CN)6]2·6H2O (Cs2Zn3Fe2[CN]12[H2O]6 rt) Crystal Structure

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General Information

  • Phase Label(s): Cs2Zn3Fe2[CN]12[H2O]6 rt
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hR390
  • Space Group: 167
  • Phase Prototype: Na2Zn3Fe2[CN]12[H2O]9
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα1 (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 = 0.051; wR = 0.056
  • Sample Detail(s): sample prepared from Na2Zn3(Fe[CN]6)2[H2O]x, silica gel, HF, CsCl, neutron activation; Cs/Fe ratio 1.0(1)/1; Zn/Fe ratio 1.5(3)/1, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs2Zn3Fe2[CN]12[H2O]6
  • Alphabetic Formula: [CN]12Cs2Fe2[H2O]6Zn3
  • Published Formula: Cs2Zn3[Fe(CN)6]2·6H2O
  • Refined Formula: C12Cs2Fe2H11.04N12O5.52Zn3
  • Wyckoff Sequence: 167,f10ec
  • Z Formula Units: 6
  • Density: ρ = 2.22 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]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1625241

  • 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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