Inorganic Solid Phases

(Cu8.08Fe0.28)(Bi11.51Ag0.03Pb0.08Sb0.03Cd0.08)S21.91 (Cu8.2Cd0.1Fe0.3Pb0.1Bi11.5S22) Crystal Structure

General Information

  • Phase Label(s): Cu8.2Cd0.1Fe0.3Pb0.1Bi11.5S22
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hodrusite
  • Pearson Symbol: mS92
  • Space Group: 12
  • Phase Prototype: Cu8.2Cd0.1Fe0.3Pb0.1Bi11.5S22
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (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, least-squares refinement on F2; 133 variables; 3134 reflections; I > 2σ(I), R = 0.0521; wR = 0.1401
  • Sample Detail(s): hodrushite sample from South Africa, Western Cape Province, Swartberg Range, electron microprobe analysis; (Cu8.08Fe3+0.28)(Bi11.51Ag0.03Pb0.08Sb0.03Cd0.08)S21.91, single crystal (determination of cell parameters), single crystal, 0.02×0.045×0.07 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu8.2Cd0.1Fe0.3Pb0.1Bi11.5S22
  • Alphabetic Formula: Bi11.5Cd0.1Cu8.2Fe0.3Pb0.1S22
  • Published Formula: (Cu8.08Fe0.28)(Bi11.51Ag0.03Pb0.08Sb0.03Cd0.08)S21.91
  • Refined Formula: Bi11.75Cu8.50S22
  • Wyckoff Sequence: 12,i22cb
  • Z Formula Units: 2
  • Density: ρ = 6.59 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220492

  • 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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