Inorganic Solid Phases

AgTl3Pb4As11Sb9S36 (Ag0.5Tl1.5Pb2Sb4.5As5.5S18) Crystal Structure

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General Information

  • Phase Label(s): Ag0.5Tl1.5Pb2Sb4.5As5.5S18
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): écrinsite
  • Pearson Symbol: aP72
  • Space Group: 2
  • Phase Prototype: Ag0.5Tl1.5Pb2Sb4.5As5.5S18
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 311 variables; 6199 reflections; I > 2σ(I), R = 0.0525; wR = 0.1231
  • Sample Detail(s): écrinsite sample from France, Hautes-Alpes, Ecrins, Jas Roux deposit, electron microprobe analysis; Ag0.87Cu0.02Tl3.28Pb3.61Sb9.06As10.98S36.19, single crystal (determination of cell parameters), single crystal, 0.015×0.04×0.07 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ag0.5Tl1.5Pb2Sb4.5As5.5S18
  • Alphabetic Formula: Ag0.5As5.5Pb2S18Sb4.5Tl1.5
  • Published Formula: AgTl3Pb4As11Sb9S36
  • Refined Formula: Ag0.47As5.17Pb1.83S18Sb4.72Tl1.82
  • Wyckoff Sequence: 2,i36
  • Z Formula Units: 2
  • Density: ρ = 4.96 Mg·m−3
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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_1243757

  • 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)

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