Inorganic Solid Phases

Pb2+5(OH)5[Cu+(S6+O3S2−)3](H2O)2 (CuPb5[S2O3]3[OH]5[H2O]2) Crystal Structure

General Information

  • Phase Label(s): CuPb5[S2O3]3[OH]5[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): steverustite
  • Pearson Symbol: mP112
  • Space Group: 14
  • Phase Prototype: CuPb5[S2O3]3[OH]5[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, thiosulfate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 270 variables; 3530 reflections, R = 0.027; wR = 0.061
  • Sample Detail(s): steverustite sample from United Kingdom, Wales, Ceredigion, Devils Bridge, Frongoch mine, electron microprobe analysis; Pb2+4.99Cu+0.96(S6+O3S2−)3.03[OH]4.88[H2O]1.67, single crystal (determination of cell parameters), single crystal, 0.006×0.040×0.180 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuPb5[S2O3]3[OH]5[H2O]2
  • Alphabetic Formula: Cu[H2O]2[OH]5Pb5[S2O3]3
  • Published Formula: Pb2+5(OH)5[Cu+(S6+O3S2−)3](H2O)2
  • Refined Formula: CuH8.34O15.67Pb5S6
  • Wyckoff Sequence: 14,e28
  • Z Formula Units: 4
  • Density: ρ = 5.17 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_1223584

  • 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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