Inorganic Solid Phases

AgHg2TlAs2S6 (Ag0.9Cu0.1TlZn0.1Hg1.9Sb0.4As1.6S6) Crystal Structure

General Information

  • Phase Label(s): Ag0.9Cu0.1TlZn0.1Hg1.9Sb0.4As1.6S6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): arsiccioite
  • Pearson Symbol: tI56
  • Space Group: 121
  • Phase Prototype: (Ag0.8Cu0.1Zn0.1)Tl(Ag0.05Hg0.95)2(Sb0.2As0.8)2S6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART BREEZE (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 41 variables; 893 reflections; F > 4σ(F), R = 0.0304; wR = 0.0700
  • Sample Detail(s): arsiccioite sample from Italy, Tuscany, Apuan Alps, Sant' Anna di Stazzema, Monte Arsiccio mine, electron microprobe analysis; Ag0.87(2)Cu0.13(1)Zn0.08(4)Fe0.01(1)Hg1.91(5)Cd0.02(1)Tl1.00(2)(As1.56(2)Sb0.42(1))S6.12(6)Se0.01(1), single crystal (determination of cell parameters), single crystal, 0.04×0.05×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag0.9Cu0.1TlZn0.1Hg1.9Sb0.4As1.6S6
  • Alphabetic Formula: Ag0.9As1.6Cu0.1Hg1.9S6Sb0.4TlZn0.1
  • Published Formula: AgHg2TlAs2S6
  • Refined Formula: Ag0.88As1.58Cu0.13Hg1.91S6Sb0.42TlZn0.08
  • Wyckoff Sequence: 121,ji3ged
  • Z Formula Units: 4
  • Density: ρ = 6.02 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]

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_1235327

  • 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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