Inorganic Solid Phases

Na0.75(H3O)0.25Fe2.84(SO4)2(OH)5.52(H2O)0.48 (Na0.65[H3O]0.15Fe2.8[SO4]2[OH]5.2[H2O], T = 368 K, p = 0.0004 GPa) Crystal Structure

General Information

  • Phase Label(s): Na0.65[H3O]0.15Fe2.8[SO4]2[OH]5.2[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: (Na0.66[H3O]0.18[H2O]0.16)Fe2.84[SO4]2[OH]2([OH]0.84[H2O]0.16)4
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; Australia, Clayton, Australian Synchrotron (determination of structural parameters), X-rays, synchrotron; λ = 0.09523 nm (determination of cell and structural parameters), T = 368 K (determination of cell and structural parameters), p = 0.0004 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.0146
  • Sample Detail(s): sample prepared from Fe2[SO4]3[H2O]11, Na2SO4, inductive coupled plasma method, thermogravimetry; Na0.75[H3O]0.25Fe2.84[SO4]2[OH]5.52[H2O]0.48, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.75[H3O]0.25Fe2.84[SO4]2[OH]5.52[H2O]0.48
  • Alphabetic Formula: Fe2.84[H2O]0.48[H3O]0.25Na0.75[OH]5.52[SO4]2
  • Published Formula: Na0.75(H3O)0.25Fe2.84(SO4)2(OH)5.52(H2O)0.48
  • Refined Formula: Fe2.86H6.48Na0.84O14S2
  • Wyckoff Sequence: 12,j2i4fca
  • Z Formula Units: 2
  • Density: ρ = 3.03 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_1225035

  • 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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