Inorganic Solid Phases

PbTl(Cu0.64Ag0.36)As2S5 (Ag0.36Cu0.64TlPbAs2S5) Crystal Structure

General Information

  • Phase Label(s): Ag0.36Cu0.64TlPbAs2S5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hatchite/wallisite
  • Pearson Symbol: aP20
  • Space Group: 2
  • Phase Prototype: AgTlPbAs2S5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (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, full-matrix least-squares refinement; 3054 reflections; I > 3σ(I), R = 0.038
  • Sample Detail(s): wallisite-hatchite sample from Switzerland, Valais (Wallis), Binntal, electron microprobe analysis; Pb0.99Tl1.01Cu0.64Ag0.37As2.01S4.98, single crystal (determination of cell parameters), single crystal, 0.05×0.05×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag0.36Cu0.64TlPbAs2S5
  • Alphabetic Formula: Ag0.36As2Cu0.64PbS5Tl
  • Published Formula: PbTl(Cu0.64Ag0.36)As2S5
  • Refined Formula: Ag0.35As2Cu0.65PbS5Tl
  • Wyckoff Sequence: 2,i10
  • Z Formula Units: 2
  • Density: ρ = 5.71 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220514

  • 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)

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