Inorganic Solid Phases

TlCu(Zn1.16Fe0.46Hg0.38)As2S6 (CuTlZn1.16Hg0.38Fe0.46As2S6) Crystal Structure

General Information

  • Phase Label(s): CuTlZn1.16Hg0.38Fe0.46As2S6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): stalderite
  • Pearson Symbol: tI48
  • Space Group: 121
  • Phase Prototype: CuTl(Zn0.58Hg0.19Fe0.23)2As2S6
  • Measurement Detail(s): automatic diffractometer; 38 (determination of cell parameters), automatic diffractometer; Germany, Hamburg, Deutsches Elektronen-Synchrotron DESY, HASYLAB (determination of structural parameters), X-rays, synchrotron; λ = 0.11213 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 296 reflections; F2 > 2σ(F2), R = 0.047
  • Sample Detail(s): stalderite sample from Switzerland, Valais (Wallis), Binntal, Lengenbach, electron microprobe analysis; 25.80 wt.% Tl, 7.20 wt.% Cu, 0.23 wt.% Ag, 2.25 wt.% Pb, 9.16 wt.% Zn, 3.02 wt.% Fe, 8.90 wt.% Hg, 18.48 wt.% As, 24.48 wt.% S, single crystal (determination of cell parameters), single crystal, 0.016×0.024×0.048 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuTlZn1.16Hg0.38Fe0.46As2S6
  • Alphabetic Formula: As2CuFe0.46Hg0.38S6TlZn1.16
  • Published Formula: TlCu(Zn1.16Fe0.46Hg0.38)As2S6
  • Refined Formula: As2CuFe0.46Hg0.38S6TlZn1.16
  • Wyckoff Sequence: 121,ji2fed
  • Z Formula Units: 4
  • Density: ρ = 4.92 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1626220

  • 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