Inorganic Solid Phases

Fe14/3(SO4)6(OD)2(D2O)20 (Fe4.67[SO4]6[OD]2[D2O]20) Crystal Structure

General Information

  • Phase Label(s): Fe4.67[SO4]6[OD]2[D2O]20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ferricopiapite-D
  • Pearson Symbol: aP57
  • Space Group: 2
  • Phase Prototype: Zn0.02Fe4.43Al0.23[SO4]6[OH]2[H2O]20
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, synchrotron; λ = 0.064905 nm (determination of cell parameters), neutrons; λ = 0.20787 nm (determination of structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide-D, sulfate, hydrate-D
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase; 98 variables, RP = 0.0452; wRP = 0.0610
  • Sample Detail(s): ferricopiapite sample from synthetic, sample prepared from Fe2[SO4]3[H2O]6.75, amounts of [D5O2]Fe[SO4]2[D2O]2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe4.67[SO4]6[OD]2[D2O]20
  • Alphabetic Formula: [D2O]20Fe4.67[OD]2[SO4]6
  • Published Formula: Fe14/3(SO4)6(OD)2(D2O)20
  • Refined Formula: D42Fe4.63O46S6
  • Wyckoff Sequence: 2,i28f
  • Z Formula Units: 1
  • Density: ρ = 2.21 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1123537

  • 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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