Inorganic Solid Phases

Pb19.20Sn1.44Bi13.94As9.42S54Cl6, polytype MDO1 (Pb19.2Sn1.44Bi13.94As9.42S54.24Cl5.76) Crystal Structure

General Information

  • Phase Label(s): Pb19.2Sn1.44Bi13.94As9.42S54.24Cl5.76
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): vurroite
  • Pearson Symbol: mS464
  • Space Group: 15
  • Phase Prototype: Pb19.2Sn1.44Bi13.94As9.42S54.24Cl5.76
  • 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 = 0.1 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 319 variables; 5495 reflections, R = 0.0689; wR = 0.1837
  • Sample Detail(s): vurroite sample from Italy, Aeolian Islands, Vulcano, electron microprobe analysis; Pb18.95Sn1.30(Bi12.99As10.73Tl0.03)(S54.71Se0.22Cl5.00Br0.29), single crystal (determination of cell parameters), single crystal, 0.003×0.010×0.110 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pb19.2Sn1.44Bi13.94As9.42S54.24Cl5.76
  • Alphabetic Formula: As9.42Bi13.94Cl5.76Pb19.2S54.24Sn1.44
  • Published Formula: Pb19.20Sn1.44Bi13.94As9.42S54Cl6, polytype MDO1
  • Refined Formula: As9.42Bi13.94Cl4Pb19.20S56Sn1.44
  • Wyckoff Sequence: 15,f57e2
  • Z Formula Units: 4
  • Density: ρ = 6.28 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_1221534

  • 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