Inorganic Solid Phases

Cu2Fe3+(As5+O4)(As3+O2OH)2·H2O (H2Cu2Fe[AsO3]2[AsO4][H2O]) Crystal Structure

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General Information

  • Phase Label(s): H2Cu2Fe[AsO3]2[AsO4][H2O]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): radovanite
  • Pearson Symbol: oP68
  • Space Group: 62
  • Phase Prototype: H2Cu2Fe[AsO3]2[AsO4][H2O]
  • Measurement Detail(s): automatic diffractometer; 2000 (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenite, arsenate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 86 variables; 1027 reflections, R = 0.059; wR = 0.023
  • Sample Detail(s): radovanite sample from France, Alpes-Maritimes, Vallée du Var, Roua mine, electron microprobe analysis; Cu1.93Fe+30.92Al0.01P0.02As+51.01As+32.01H4.15O11, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H2Cu2Fe[AsO3]2[AsO4][H2O]
  • Alphabetic Formula: [AsO3]2[AsO4]Cu2FeH2[H2O]
  • Published Formula: Cu2Fe3+(As5+O4)(As3+O2OH)2·H2O
  • Refined Formula: As3Cu2FeH4O11
  • Wyckoff Sequence: 62,d6c4a
  • Z Formula Units: 4
  • Density: ρ = 3.83 Mg·m−3
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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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1816302

  • 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)

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