Inorganic Solid Phases

Fe6(AsO3)4SO4(OH)4·4H2O (Fe3[AsO3]2[SO4]0.5[OH]2[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Fe3[AsO3]2[SO4]0.5[OH]2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tooeleite
  • Pearson Symbol: mS48
  • Space Group: 12
  • Phase Prototype: Fe3[AsO3]2[SO4]0.5[OH]2[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Orsay, Laboratoire pour l'Utilisation du Rayonnement Electromagnétique LURE, DW22 (determination of structural parameters), X-rays, synchrotron; λ = 0.06926 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenite, hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase; 35 variables, RP = 0.068; wRP = 0.088; RB = 0.045
  • Sample Detail(s): tooeleite sample from U.S.A. Utah, Tooele County, electron microprobe analysis; Fe6[AsO3]4SO4[OH]4[H2O]4−5; amounts of scorodite (2 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe3[AsO3]2[SO4]0.5[OH]2[H2O]2
  • Alphabetic Formula: [AsO3]2Fe3[H2O]2[OH]2[SO4]0.5
  • Published Formula: Fe6(AsO3)4SO4(OH)4·4H2O
  • Refined Formula: As2Fe3H6O12.60S0.65
  • Wyckoff Sequence: 12,j3i5ca
  • Z Formula Units: 2
  • Density: ρ = 3.15 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_1216776

  • 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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