Inorganic Solid Phases

Cu7(ΣX0.33Pb1.33Bi11.33)13S22 (X= Cu or Ag), Cu7(Cu0.09Ag0.18Pb1.37Bi11.31)S22.05 (Ag0.20Cu7.13Pb1.33Bi11.33S22) Crystal Structure

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General Information

  • Phase Label(s): Ag0.20Cu7.13Pb1.33Bi11.33S22
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): paderaite
  • Pearson Symbol: mP86
  • Space Group: 11
  • Phase Prototype: Ag0.20Cu7.13Pb(Pb0.17Bi0.83)2Bi9.66S22
  • Measurement Detail(s): automatic diffractometer; 1656 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 250 variables; 2429 reflections; I > 2σ(I), R = 0.0772; wR = 0.2317
  • Sample Detail(s): paderaite sample from Romania, Apuseni Mountains, Baita Bihor (Rezbanya), electron microprobe analysis; Cu7.09Ag0.18Pb1.37Bi11.28Sb0.03S21.98Te0.07, single crystal (determination of cell parameters), single crystal, 0.03×0.03×0.04 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag0.20Cu7.13Pb1.33Bi11.33S22
  • Alphabetic Formula: Ag0.20Bi11.33Cu7.13Pb1.33S22
  • Published Formula: Cu7(ΣX0.33Pb1.33Bi11.33)13S22 (X= Cu or Ag), Cu7(Cu0.09Ag0.18Pb1.37Bi11.31)S22.05
  • Refined Formula: Ag0.19Bi11.34Cu7.10Pb1.37S22
  • Wyckoff Sequence: 11,e43
  • Z Formula Units: 2
  • Density: ρ = 6.68 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_1123464

  • 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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