Inorganic Solid Phases

Pb12(As10Sb6)S36 (Pb18Sb9As15S54) Crystal Structure

General Information

  • Phase Label(s): Pb18Sb9As15S54
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bernarlottiite
  • Pearson Symbol: aP192
  • Space Group: 2
  • Phase Prototype: Pb12Sb6As10S36
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Italy, Trieste, Elettra Synchrotron Light Source, 5.2R-XRD1 beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.07 nm (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; 880 variables; 7317 reflections; F > 4σ(F), R = 0.0885
  • Sample Detail(s): bernarlottiite sample from Italy, Apuan Alps, Tuscany, Seravezza, Ceragiola, electron microprobe analysis; Pb11.92(6)As10.12(14)Sb5.95(8)S36.76(32), twinned crystal (determination of cell parameters), twinned crystal, 0.005×0.005×0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pb18Sb9As15S54
  • Alphabetic Formula: As15Pb18S54Sb9
  • Published Formula: Pb12(As10Sb6)S36
  • Refined Formula: As15Pb17.89S54Sb9.11
  • Wyckoff Sequence: 2,i96
  • Z Formula Units: 2
  • Density: ρ = 5.60 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1243755

  • 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

    Citation copied