Inorganic Solid Phases

Pb5Sb4S11 boulangerite MDO1, "family structure" (Pb5Sb4S11 mon) Crystal Structure

General Information

  • Phase Label(s): Pb5Sb4S11 mon
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): falkmanite
  • Pearson Symbol: mP160
  • Space Group: 14
  • Phase Prototype: Pb5Sb4S11
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): average structure determined, least-squares refinement; 131 variables; 2701 reflections; I > 3σ(I), R = 0.048; wR = 0.048
  • Sample Detail(s): boulangerite sample from Italy, Apuan Alps, Tuscany, Bottino mine, electron microprobe analysis; Pb4.89(Sb4.08As0.04Bi0.01)(S10.98Se0.02), twinned crystal (determination of cell parameters), twinned crystal, 0.03×0.10×1.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pb5Sb4S11
  • Alphabetic Formula: Pb5S11Sb4
  • Published Formula: Pb5Sb4S11 boulangerite MDO1, "family structure"
  • Refined Formula: Pb5.02S11Sb3.98
  • Wyckoff Sequence: 62,c21
  • Z Formula Units: 4
  • Density: ρ = 6.21 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1229505

  • 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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