Inorganic Solid Phases

Fe2.94Al0.06(OH)6(SO4)0.5·3.81H2O (Fe2.88Al0.12[SO4]0.5[OH]6[H2O]3.85) Crystal Structure

General Information

  • Phase Label(s): Fe2.88Al0.12[SO4]0.5[OH]6[H2O]3.85
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP30
  • Space Group: 162
  • Phase Prototype: Fe3[SO4]0.5[OH]6[H2O]3.85
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, ID31 (determination of structural parameters), X-rays, synchrotron; λ = 0.035015 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement, RP = 0.0946; wRP = 0.129; RB = 0.0760
  • Sample Detail(s): sample prepared from FeSO4[H2O]7, Fe2[SO4]3[H2O]5, NaOH, Al2[SO4]3[H2O]5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe2.94Al0.06[SO4]0.5[OH]6[H2O]3.81
  • Alphabetic Formula: Al0.06Fe2.94[H2O]3.81[OH]6[SO4]0.5
  • Published Formula: Fe2.94Al0.06(OH)6(SO4)0.5·3.81H2O
  • Refined Formula: Al0.06Fe2.94H13.63O11.82S0.50
  • Wyckoff Sequence: 162,lk2edba
  • Z Formula Units: 1
  • Density: ρ = 2.22 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_1220965

  • 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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