Inorganic Solid Phases

[Ag6As2S7][Ag10(Hg0.79Cu0.21)As2S8] (Ag16Cu0.21Hg0.79As4S15) Crystal Structure

General Information

  • Phase Label(s): Ag16Cu0.21Hg0.79As4S15
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fettelite low
  • Pearson Symbol: mS288
  • Space Group: 5
  • Phase Prototype: Ag16HgAs4S15
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur 3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(3) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined; absolute structure determined, full-matrix least-squares refinement on F2; 659 variables; 7445 reflections; F > 4σ(F), R = 0.0430; wR = 0.0846
  • Sample Detail(s): fettelite sample from Germany, Odenwald, Nieder-Beerbach, Glasberg quarry, electron microprobe analysis; Ag16.08Cu0.13Fe0.01Hg0.71As3.80S15.27, twinned crystal (determination of cell parameters), twinned crystal, 0.010×0.058×0.069 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag16Cu0.21Hg0.79As4S15
  • Alphabetic Formula: Ag16As4Cu0.21Hg0.79S15
  • Published Formula: [Ag6As2S7][Ag10(Hg0.79Cu0.21)As2S8]
  • Refined Formula: Ag16As4Cu0.21Hg0.79S15
  • Wyckoff Sequence: 5,c69b2a4
  • Z Formula Units: 8
  • Density: ρ = 5.85 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1228939

  • 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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