Inorganic Solid Phases

(Ag,Cu)16(Sb,As)2S11, Ag14.814Cu1.186S11Sb2 (Ag29.63Cu2.37Sb4S22 rt, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Ag29.63Cu2.37Sb4S22 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): polybasite 222
  • Pearson Symbol: mS464
  • Space Group: 15
  • Phase Prototype: Ag29(Ag0.63Cu0.37)Cu2Sb4S22
  • Measurement Detail(s): automatic diffractometer; 228 (determination of cell parameters), automatic diffractometer; Bruker-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F; 592 variables; 38767 reflections; I > 2σ(I), R = 0.050
  • Sample Detail(s): polybasite sample from Mexico, Hidalgo, electron microprobe analysis, energy-dispersive X-ray analysis; Ag49.94As0.31Bi0.04Cu4.45Pb0.03S38.40Sb6.84, twinned crystal (determination of cell parameters), twinned crystal, 0.09×0.12×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag29.63Cu2.37Sb4S22
  • Alphabetic Formula: Ag29.63Cu2.37S22Sb4
  • Published Formula: (Ag,Cu)16(Sb,As)2S11, Ag14.814Cu1.186S11Sb2
  • Refined Formula: Ag29.63Cu2.37S22Sb4
  • Wyckoff Sequence: 15,f57e2
  • Z Formula Units: 8
  • Density: ρ = 6.40 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_1910302

  • 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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