Inorganic Solid Phases

Al29.2Fe2.8(AsO4)18(OH)42(H2O)22·52H2O (Fe1.4Al14.6[AsO4]9[OH]21[H2O]37, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Fe1.4Al14.6[AsO4]9[OH]21[H2O]37
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): liskeardite
  • Pearson Symbol: mS246
  • Space Group: 5
  • Phase Prototype: (Fe0.35Al0.65)4Al12[AsO4]9[OH]21[H2O]37
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Clayton, Australian Synchrotron (determination of structural parameters), X-rays, synchrotron; λ = 0.07093 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 491 variables; 9769 reflections; I > 3σ(I), R = 0.058; wR = 0.074
  • Sample Detail(s): liskeardite sample from United Kingdom, England, Cornwall, Liskeard, Marke Valley mine, electron microprobe analysis; Al29.2Fe2.8[AsO4]18[OH]42[H2O]22[H2O]52, twinned crystal (determination of cell parameters), twinned crystal, 0.05 mm, 0.002 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe1.4Al14.6[AsO4]9[OH]21[H2O]37
  • Alphabetic Formula: Al14.6[AsO4]9Fe1.4[H2O]37[OH]21
  • Published Formula: Al29.2Fe2.8(AsO4)18(OH)42(H2O)22·52H2O
  • Refined Formula: Al14.58As9Fe1.42H96.24O94.12
  • Wyckoff Sequence: 5,c61a
  • Z Formula Units: 2
  • Density: ρ = 1.94 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_1232426

  • 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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