Inorganic Solid Phases

Na5Fe3O(SO4)6·11H2O (Na5Fe3[SO4]6O[H2O]11) Crystal Structure

General Information

  • Phase Label(s): Na5Fe3[SO4]6O[H2O]11
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS200
  • Space Group: 63
  • Phase Prototype: Na5Fe3[SO4]6O[H2O]11
  • Measurement Detail(s): automatic diffractometer; 17 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, 1143 reflections; I > 4σ(I), R = 0.064
  • Sample Detail(s): sample prepared from Na2SO4[H2O]10, Fe2[SO4]3[H2O]x, electron microprobe analysis; 15.78(6) at.% Fe, 17.84(7) at.% S, 10.49(9) at.% Na, 55.89 at.% O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na5Fe3[SO4]6O[H2O]11
  • Alphabetic Formula: Fe3[H2O]11Na5O[SO4]6
  • Published Formula: Na5Fe3O(SO4)6·11H2O
  • Refined Formula: Fe3H22Na5O36S6
  • Wyckoff Sequence: 63,h8g3f4c3a
  • Z Formula Units: 4
  • Density: ρ = 2.31 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_1613388

  • 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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