Inorganic Solid Phases

Cu7.25Ag2.81Zn1.26Fe0.84Sb3.88As0.12S12.83 (Ag4.2Cu5.8Zn0.4Fe1.6Sb4S13) Crystal Structure

General Information

  • Phase Label(s): Ag4.2Cu5.8Zn0.4Fe1.6Sb4S13
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): freibergite
  • Pearson Symbol: cI58
  • Space Group: 217
  • Phase Prototype: Cu6(Cu0.083Fe0.917)6As4S13
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer; Syntex P21 (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; I > 1.96σ(I), R = 0.047; wR = 0.049
  • Sample Detail(s): freibergite sample from Russia, Sakha (Yakutia), electron microprobe analysis; 25.5 wt.% Cu, 16.8 wt.% Ag, 2.6 wt.% Fe, 4.5 wt.% Zn, 26.2 wt.% Sb, 0.5 wt.% As, 22.8 wt.% S, single crystal (determination of cell parameters), single crystal, 0.2×0.22×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag2.81Cu7.25Zn1.26Fe0.84Sb4S12.83
  • Alphabetic Formula: Ag2.81Cu7.25Fe0.84S12.83Sb4Zn1.26
  • Published Formula: Cu7.25Ag2.81Zn1.26Fe0.84Sb3.88As0.12S12.83
  • Refined Formula: Ag2.88Cu8.28Fe0.84S12.97Sb4
  • Wyckoff Sequence: 217,gedca
  • Z Formula Units: 2
  • Density: ρ = 5.10 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_1923513

  • 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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