Inorganic Solid Phases

Cu9.28Hg1.64Zn0.76Fe0.02As0.17Sb4.19S13 (Cu9.28Zn0.76Hg1.64Fe0.02Sb4.19As0.17S13) Crystal Structure

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General Information

  • Phase Label(s): Cu9.28Zn0.76Hg1.64Fe0.02Sb4.19As0.17S13
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): tetrahedrite
  • Pearson Symbol: cI58
  • Space Group: 217
  • Phase Prototype: Cu6(Cu0.083Fe0.917)6As4S13
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined; absolute structure determined, full-matrix least-squares refinement on F2; 19 variables; 165 reflections; I > 2σ(I), R = 0.0148; wR = 0.0274
  • Sample Detail(s): schwatzite sample from Serbia, Donja Tresnjica district, Dragodol, electron microprobe analysis; Cu9.28Hg1.64Zn0.76Fe0.02As0.17Sb4.19S13, single crystal (determination of cell parameters), single crystal, 0.036×0.054×0.090 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu9.28Zn0.76Hg1.64Fe0.02Sb4.19As0.17S13
  • Alphabetic Formula: As0.17Cu9.28Fe0.02Hg1.64S13Sb4.19Zn0.76
  • Published Formula: Cu9.28Hg1.64Zn0.76Fe0.02As0.17Sb4.19S13
  • Refined Formula: As0.68Cu10.63Hg1.37S13Sb3.32
  • Wyckoff Sequence: 217,gedca
  • Z Formula Units: 2
  • Density: ρ = 5.55 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

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220513

  • 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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