Inorganic Solid Phases

Cu3Cd2(SO4)2(OH)6·4H2O (Cu3Cd2[SO4]2[OH]6[H2O]4, T = 123 K) Crystal Structure

General Information

  • Phase Label(s): Cu3Cd2[SO4]2[OH]6[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): edwardsite
  • Pearson Symbol: mP100
  • Space Group: 14
  • Phase Prototype: Cu3Cd2[SO4]2[OH]6[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Clayton, Australian Synchrotron, MX1 beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.0773418 nm (determination of cell and structural parameters), T = 123 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 274 variables; 1904 reflections; F > 4σ(F), R = 0.0321; wR = 0.0831
  • Sample Detail(s): edwardsite sample from Australia, New South Wales, Broken Hill, Block 14 opencut, electron microprobe analysis; Cu2.77Cd1.98Zn0.22Fe0.01[SO4]2.00[OH]5.95[H2O]4.06, single crystal (determination of cell parameters), single crystal, 0.008×0.025×0.033 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu3Cd2[SO4]2[OH]6[H2O]4
  • Alphabetic Formula: Cd2Cu3[H2O]4[OH]6[SO4]2
  • Published Formula: Cu3Cd2(SO4)2(OH)6·4H2O
  • Refined Formula: Cd1.89Cu3H14O18S2Zn0.11
  • Wyckoff Sequence: 14,e24ca
  • Z Formula Units: 4
  • Density: ρ = 3.54 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]

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_1225402

  • 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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