Inorganic Solid Phases

Fe2(SO4)3·9H2O (Fe3Al[SO4]6[H2O]18, T = 200(2) K) Crystal Structure

General Information

  • Phase Label(s): Fe3Al[SO4]6[H2O]18
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): coquimbite
  • Pearson Symbol: hP104
  • Space Group: 163
  • Phase Prototype: Fe3(Fe0.1Al0.9)[SO4]6[H2O]18
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 200(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, hydrate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement; 113 variables; 2165 reflections; I > 4σ(I), R = 0.0272
  • Sample Detail(s): coquimbite sample from U.S.A. Utah, Dexter, single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe2.9Al1.1[SO4]6[H2O]18
  • Alphabetic Formula: Al1.1Fe2.9[H2O]18[SO4]6
  • Published Formula: Fe2(SO4)3·9H2O
  • Refined Formula: Al1.12Fe2.88H35.88O42S6
  • Wyckoff Sequence: 163,i8fdb
  • Z Formula Units: 2
  • Density: ρ = 2.06 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1225162

  • 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

    Citation copied