Inorganic Solid Phases

Tl5As9.5Sb3.5S22; rebulite (Tl5Sb5.25As7.75S22) Crystal Structure

General Information

  • Phase Label(s): Tl5Sb5.25As7.75S22
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rebulite
  • Pearson Symbol: mP180
  • Space Group: 14
  • Phase Prototype: Tl5Sb5.25As7.75S22
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 356 variables; 2581 reflections; I > 2σ(I), R = 0.0738; wR = 0.1803
  • Sample Detail(s): sample prepared from Tl, As, S, Sb2S3, electron microprobe analysis; 35.20 wt.% Tl, 18.39 wt.% Sb, 22.23 wt.% As, 24.12 wt.% S; amounts of glass and chabourneite phase, single crystal (determination of cell parameters), single crystal, 0.07×0.07×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Tl5Sb3.5As9.5S22
  • Alphabetic Formula: As9.5S22Sb3.5Tl5
  • Published Formula: Tl5As9.5Sb3.5S22; rebulite
  • Refined Formula: As9.16S22Sb3.84Tl5
  • Wyckoff Sequence: 14,e45
  • Z Formula Units: 4
  • Density: ρ = 4.76 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1946054

  • 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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