Inorganic Solid Phases

Cu5.84Ag4.22Fe1.59Zn0.43Sb4.10As0.13S13 (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 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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; 20 variables; 438 reflections; I > 2σ(I), R = 0.053; wR = 0.027
  • Sample Detail(s): freibergite sample from Canada, Yukon, Keno Hill, electron microprobe analysis; 26.6 wt.% Sb, 24.3 wt.% Ag, 22.2 wt.% S, 19.8 wt.% Cu, 4.73 wt.% Fe, 1.5 wt.% Zn, 0.52 wt.% As; composition determined as Cu5.84Ag4.22Fe1.59Zn0.43Sb4.10As0.13S13, single crystal (determination of cell parameters), single crystal, 1.54 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag4.2Cu5.8Zn0.4Fe1.6Sb4S13
  • Alphabetic Formula: Ag4.2Cu5.8Fe1.6S13Sb4Zn0.4
  • Published Formula: Cu5.84Ag4.22Fe1.59Zn0.43Sb4.10As0.13S13
  • Refined Formula: Ag4.32Cu6Fe1.68S13Sb4
  • Wyckoff Sequence: 217,gedca
  • Z Formula Units: 2
  • Density: ρ = 5.12 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1813209

  • 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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