Inorganic Solid Phases

Cu2SO3·CuSO3·2H2O (Cu3[SO3]2[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Cu3[SO3]2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP26
  • Space Group: 14
  • Phase Prototype: Cu3[SO3]2[H2O]2
  • Measurement Detail(s): Guinier film (determination of cell parameters), rotation and Weissenberg photographs (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154050 nm (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters), T = 298 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): sulfite, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 428 reflections, R = 0.127
  • Sample Detail(s): sample prepared from CuSO4, SO2, chemical analysis; 48.9 wt.% Cu, 16.0 wt.% S, 9.3 wt.% H2O, powder (determination of cell parameters), single crystal, 0.012×0.039×0.109 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu3[SO3]2[H2O]2
  • Alphabetic Formula: Cu3[H2O]2[SO3]2
  • Published Formula: Cu2SO3·CuSO3·2H2O
  • Refined Formula: Cu3H4O8S2
  • Wyckoff Sequence: 14,e6a
  • Z Formula Units: 2
  • 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
B [nm2]
Type
Computed
Beq [nm2]

Powder Pattern

published defraction line
sin2(θ) [10−5]
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_1814925

  • 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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