Inorganic Solid Phases

(Tl,K)2(Cu,Fe,Ag)6.35SbS4 (idealized) (K0.2Cu6.35Tl1.8SbS4) Crystal Structure

General Information

  • Phase Label(s): K0.2Cu6.35Tl1.8SbS4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chalcothallite
  • Pearson Symbol: tI28
  • Space Group: 139
  • Phase Prototype: (K0.1Tl0.9)2Cu6.35SbS4
  • Measurement Detail(s): Guinier-Hägg film (determination of cell parameters), Weissenberg photographs (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Cu K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): average structure determined, full-matrix least-squares refinement; 80 reflections, wR = 0.207
  • Sample Detail(s): chalcothallite sample from Greenland, Ilimaussaq complex, Narssaq Kommune, electron microprobe analysis; 34.26 wt.% Cu, 33.94 wt.% Tl, 12.54 wt.% S, 12.15 wt.% Sb, 3.88 wt.% Fe, 1.32 wt.% Ag, 0.78 wt.% K, powder (determination of cell parameters), single crystal, 0.03×0.15×0.37 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.2Cu6.35Tl1.8SbS4
  • Alphabetic Formula: Cu6.35K0.2S4SbTl1.8
  • Published Formula: (Tl,K)2(Cu,Fe,Ag)6.35SbS4 (idealized)
  • Refined Formula: Cu6.35K0.22S4SbTl1.78
  • Wyckoff Sequence: 139,ge3dba
  • Z Formula Units: 2
  • Density: ρ = 6.81 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

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_1611668

  • 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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