Inorganic Solid Phases

thometzekite (Cu1.15Zn0.5Fe0.1Al0.25Pb[AsO4]1.82[SO4]0.18[OH]0.53[H2O]1.47) Crystal Structure

General Information

  • Phase Label(s): Cu1.15Zn0.5Fe0.1Al0.25Pb[AsO4]1.82[SO4]0.18[OH]0.53[H2O]1.47
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): thometzekite
  • Pearson Symbol: mS30
  • Space Group: 12
  • Phase Prototype: NaCu2[SO4]2[OH][H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE AED2 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 46 variables; 544 reflections; F > 3σ(F), R = 0.046; wR = 0.027
  • Sample Detail(s): thometzekite sample from Namibia, Tsumeb, Tsumeb mine, sample prepared from thometzekite, electron microprobe analysis; Pb0.99Fe3+0.02Al0.07Zn0.41Cu1.50[AsO4]1.32[SO4]0.69[OH]0.74[H2O]1.23, powder (determination of cell parameters), single crystal, 0.03×0.08×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu1.51Zn0.41Fe0.02Al0.07Pb0.99[AsO4]1.31[SO4]0.69[OH]0.78[H2O]1.22
  • Alphabetic Formula: Al0.07[AsO4]1.31Cu1.51Fe0.02[H2O]1.22[OH]0.78Pb0.99[SO4]0.69Zn0.41
  • Published Formula: thometzekite
  • Refined Formula: As1.23Cu2H3.25O10PbS0.77
  • Wyckoff Sequence: 12,ji4fa
  • Z Formula Units: 2
  • Density: ρ = 5.20 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
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_1601625

  • 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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