Inorganic Solid Phases

CuSO4·5H2O (Cu[SO4][H2O]5) Crystal Structure

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General Information

  • Phase Label(s): Cu[SO4][H2O]5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): chalcanthite
  • Pearson Symbol: aP22
  • Space Group: 2
  • Phase Prototype: Cu[SO4][H2O]5
  • Measurement Detail(s): automatic diffractometer; United Kingdom, Harwell, Atomic Energy Research Establishment, PLUTO reactor, PANDA (determination of structural parameters), neutrons; λ = 0.1144 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 725 reflections, R = 0.037
  • Sample Detail(s): single crystal, 2.5 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu[SO4][H2O]5
  • Alphabetic Formula: Cu[H2O]5[SO4]
  • Published Formula: CuSO4·5H2O
  • Refined Formula: CuH10O9S
  • Wyckoff Sequence: 2,i10ga
  • Z Formula Units: 2
  • Density: ρ = 2.26 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

Anisotropic

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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2110108

  • 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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