Inorganic Solid Phases

Cu3(AsO4)2·4H2O (Cu3[AsO4]2[H2O]4) Crystal Structure

General Information

  • Phase Label(s): Cu3[AsO4]2[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rollandite
  • Pearson Symbol: oP68
  • Space Group: 62
  • Phase Prototype: Cu3[AsO4]2[H2O]4
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 83 variables, R = 0.086; wR = 0.046
  • Sample Detail(s): rollandite sample from France, Alpes-Maritimes, Vallée du Var, Roua mine, chemical analysis; 44.15 wt.% CuO, 42.53 wt.% As2O5, 13.32 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.016×0.032×0.128 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu3[AsO4]2[H2O]4
  • Alphabetic Formula: [AsO4]2Cu3[H2O]4
  • Published Formula: Cu3(AsO4)2·4H2O
  • Refined Formula: As2Cu3H8O12
  • Wyckoff Sequence: 62,d7c3
  • Z Formula Units: 4
  • Density: ρ = 3.80 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_1621786

  • 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