Inorganic Solid Phases

FeSO4F1−yOHy, y= 0.45 (Fe[SO4][OH]0.45F0.55 rt) Crystal Structure

General Information

  • Phase Label(s): Fe[SO4][OH]0.45F0.55 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS28
  • Space Group: 15
  • Phase Prototype: Fe[SO4]F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saint-Aubin, SOLEIL Synchrotron Facility, CRISTAL (determination of structural parameters), X-rays, synchrotron; λ = 0.06681 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement
  • Sample Detail(s): sample prepared from FeF3, Fe2[SO4]3[H2O]x, energy-dispersive X-ray analysis, Mössbauer spectroscopy, titration; Fe[SO4][OH]0.48F0.52; Fe[SO4][OH]0.43F0.57; Fe[SO4][OH]0.45(4)F0.55(4), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe[SO4][OH]0.45F0.55
  • Alphabetic Formula: F0.55Fe[OH]0.45[SO4]
  • Published Formula: FeSO4F1−yOHy, y= 0.45
  • Refined Formula: F0.55FeH0.45O4.45S
  • Wyckoff Sequence: 15,f2e2c
  • Z Formula Units: 4
  • Density: ρ = 3.40 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1604925

  • 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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