Inorganic Solid Phases

(Pb9.25Tl1.37)Ag2.01(As19.09Sb0.83)S40 (Ag2Tl1.4Pb9.2SbAs19S40) Crystal Structure

General Information

  • Phase Label(s): Ag2Tl1.4Pb9.2SbAs19S40
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rathite
  • Pearson Symbol: mP84
  • Space Group: 14
  • Phase Prototype: Ag2Tl1.4Pb9.2SbAs19S40
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 189 variables; 2718 reflections; I > 2σ(I), R = 0.0367; wR = 0.0894
  • Sample Detail(s): rathite sample from, electron microprobe analysis; 36.61 wt.% Pb, 5.36 wt.% Tl, 27.31 wt.% As, 1.94 wt.% Sb, 4.13 wt.% Ag, 24.48 wt.% S, single crystal (determination of cell parameters), single crystal, 0.03×0.05×0.23 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag2Tl1.4Pb9.2SbAs19S40
  • Alphabetic Formula: Ag2As19Pb9.2S40SbTl1.4
  • Published Formula: (Pb9.25Tl1.37)Ag2.01(As19.09Sb0.83)S40
  • Refined Formula: Ag1.90As18.09Pb10.96S40Sb1.06
  • Wyckoff Sequence: 14,e21
  • Z Formula Units: 1
  • Density: ρ = 5.20 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_1616728

  • 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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