Inorganic Solid Phases

Pb6Sb14S27 (Pb1.6Sb3.4S7) Crystal Structure

General Information

  • Phase Label(s): Pb1.6Sb3.4S7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zinkenite
  • Pearson Symbol: hP72
  • Space Group: 176
  • Phase Prototype: Pb(Pb0.3Sb0.7)2Sb2S7
  • Measurement Detail(s): Weissenberg photographs; 66 (determination of cell parameters), automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 956 reflections, R = 0.13; wR = 0.12
  • Sample Detail(s): zinckenite sample from Bolivia, Potosi, Cerro Bonete, Bolivar mine, electron microprobe analysis; Pb12.48S59.38Sb28.14, single crystal (determination of cell parameters), single crystal, 0.04×0.02×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pb3Sb7S13.5
  • Alphabetic Formula: Pb3S13.5Sb7
  • Published Formula: Pb6Sb14S27
  • Refined Formula: Pb3.10S13.50Sb6.85
  • Wyckoff Sequence: 173,c12a2
  • Z Formula Units: 3
  • Density: ρ = 5.16 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2110118

  • 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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