Inorganic Solid Phases

12(PbS)·7(Bi0.56Sb0.44)2S3·2(Cu0.56Fe0.44)S (Cu1.11Fe0.89Pb12Bi7.84Sb6.16S35) Crystal Structure

General Information

  • Phase Label(s): Cu1.11Fe0.89Pb12Bi7.84Sb6.16S35
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kobellite
  • Pearson Symbol: oP126
  • Space Group: 58
  • Phase Prototype: (Cu0.56Fe0.44)2Pb12(Bi0.56Sb0.44)14S35
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1780 reflections, R = 0.076
  • Sample Detail(s): kobellite sample from Slovakia, Spissko-Gemerske Rudohorie Mountains, Korunka mine, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu1.11Fe0.89Pb12Bi7.84Sb6.16S35
  • Alphabetic Formula: Bi7.84Cu1.11Fe0.89Pb12S35Sb6.16
  • Published Formula: 12(PbS)·7(Bi0.56Sb0.44)2S3·2(Cu0.56Fe0.44)S
  • Refined Formula: Bi7.89Cu1.11Fe0.89Pb12S35Sb6.11
  • Wyckoff Sequence: 58,g31a
  • Z Formula Units: 2
  • Density: ρ = 6.53 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1803929

  • 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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