Inorganic Solid Phases

Ag15.50Cu0.50Sb1.90As0.10S11 (Ag30Cu2Sb0.38As3.62S22, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Ag30Cu2Sb0.38As3.62S22
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pearceite/polybasite M2a2b2c
  • Pearson Symbol: mS464
  • Space Group: 15
  • Phase Prototype: Ag29(Ag0.63Cu0.37)Cu2Sb4S22
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur 3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 443 variables; 29768 reflections, R = 0.1172; wR = 0.0751
  • Sample Detail(s): polybasite sample from Canada, Ontario, Timiskaming County, Gowganda, energy-dispersive X-ray analysis; (Ag6Sb1.78As0.18S7)(Ag9Ag0.63Cu0.43S4), single crystal (determination of cell parameters), single crystal, 0.06×0.09×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag31CuSb3.8As0.2S22
  • Alphabetic Formula: Ag31As0.2CuS22Sb3.8
  • Published Formula: Ag15.50Cu0.50Sb1.90As0.10S11
  • Refined Formula: Ag31CuS22Sb3.93
  • Wyckoff Sequence: 15,f57e2
  • Z Formula Units: 8
  • Density: ρ = 6.35 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_1223929

  • 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

    Citation copied