Inorganic Solid Phases

(Hg,Cu,Zn,Fe,Tl,☐)6(Cs,Tl,☐)[(As,Sb)S3]4 (Cs0.595Cu0.87Tl0.3Zn0.53Hg4.22Fe0.03Sb0.068As3.932S12) Crystal Structure

General Information

  • Phase Label(s): Cs0.595Cu0.87Tl0.3Zn0.53Hg4.22Fe0.03Sb0.068As3.932S12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): galkhaite
  • Pearson Symbol: cI46
  • Space Group: 217
  • Phase Prototype: (Cs0.7Tl0.3)Hg5.5As4S12
  • Measurement Detail(s): automatic diffractometer; 48 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.070930 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 23 reflections; I > 1.65σ(I), R = 0.0264
  • Sample Detail(s): galkhaite sample from U.S.A. Nevada, Humboldt County, Getchell mine, electron microprobe analysis; 49.3 wt.% Hg, 22.4 wt.% S, 14.9 wt.% As, 4.6 wt.% Cs, 3.6 wt.% Tl, 3.2 wt.% Cu, 2.0 wt.% Zn, 0.4 wt.% Sb, 0.1 wt.% Fe, single crystal (determination of cell parameters), single crystal, 0.05×0.08×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.595Cu0.87Tl0.3Zn0.53Hg4.22Fe0.03Sb0.068As3.932S12
  • Alphabetic Formula: As3.932Cs0.595Cu0.87Fe0.03Hg4.22S12Sb0.068Tl0.3Zn0.53
  • Published Formula: (Hg,Cu,Zn,Fe,Tl,☐)6(Cs,Tl,☐)[(As,Sb)S3]4
  • Refined Formula: As3.93Cs0.59Cu0.86Fe0.06Hg4.24S12Sb0.07Tl0.28Zn0.52
  • Wyckoff Sequence: 217,gdca
  • Z Formula Units: 2
  • Density: ρ = 5.27 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [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_1611172

  • 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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