Inorganic Solid Phases

Na2Zn3[Fe(CN)6]2·9H2O (Na2Zn3Fe2[CN]12[H2O]9) Crystal Structure

General Information

  • Phase Label(s): Na2Zn3Fe2[CN]12[H2O]9
  • 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; 15 (determination of cell parameters), automatic diffractometer; Philips (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Co Kα; λ = 0.179026 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 294 reflections; I > 0.5σ(I), R = 0.025; wR = 0.029
  • Sample Detail(s): sample prepared from Na2SiO3[H2O]9, ZnCl2, Na2Fe[CN]6, NaCl, single crystal (determination of cell parameters), single crystal, 0.050 mm (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Zn3Fe2[CN]12[H2O]9
  • Alphabetic Formula: [CN]12Fe2[H2O]9Na2Zn3
  • Published Formula: Na2Zn3[Fe(CN)6]2·9H2O
  • Refined Formula: C12Fe2H18.72N12Na1.80O9.36Zn3
  • Wyckoff Sequence: 167,f10ec
  • Z Formula Units: 6
  • Density: ρ = 1.86 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_1401986

  • 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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