Inorganic Solid Phases

FeAsO4·2H2O (Fe[AsO4][H2O]2 orth) Crystal Structure

General Information

  • Phase Label(s): Fe[AsO4][H2O]2 orth
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): scorodite
  • Pearson Symbol: oP64
  • Space Group: 61
  • Phase Prototype: In[PO4][H2O]2
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydrate
  • Interpretation Detail(s): complete structure determined, 1216 reflections; F > 4σ(F), R = 0.057; wR = 0.061
  • Sample Detail(s): scorodite sample from, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe[AsO4][H2O]2
  • Alphabetic Formula: [AsO4]Fe[H2O]2
  • Published Formula: FeAsO4·2H2O
  • Refined Formula: AsFeH4O6
  • Wyckoff Sequence: 61,c8
  • Z Formula Units: 8
  • Density: ρ = 3.34 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2120001

  • 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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