Inorganic Solid Phases

Pb0.89Sn1.11S1.85Se0.15 (Pb0.3Sn0.7Se0.7S0.3 orth) Crystal Structure

General Information

  • Phase Label(s): Pb0.3Sn0.7Se0.7S0.3 orth
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): teallite
  • Pearson Symbol: oP8
  • Space Group: 62
  • Phase Prototype: GeS
  • 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)
  • Phase Class(es):
  • Compound Class(es): sulfide, selenide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 14 variables; 256 reflections; I > 2σ(I), R = 0.0382
  • Sample Detail(s): teallite sample from Czech Republic, Hradec Kralove Region, Radvanice (Radwanitz), Katerina mine, electron microprobe analysis; composition confirmed, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Pb0.445Sn0.555Se0.075S0.925
  • Alphabetic Formula: Pb0.445S0.925Se0.075Sn0.555
  • Published Formula: Pb0.89Sn1.11S1.85Se0.15
  • Refined Formula: Pb0.39S0.86Se0.07Sn0.61
  • Wyckoff Sequence: 62,c3
  • Z Formula Units: 4
  • Density: ρ = 6.45 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_1624085

  • 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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