Inorganic Solid Phases

Pb4As2S6ICl, LT -structure (Pb4As2S6ICl lt, T = 110 K) Crystal Structure

General Information

  • Phase Label(s): Pb4As2S6ICl lt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mutnovskite
  • Pearson Symbol: oP28
  • Space Group: 31
  • Phase Prototype: Pb4As2S6ICl
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur 2 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 110 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, iodide, sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 80 variables; 1915 reflections, R = 0.0341
  • Sample Detail(s): mutnovskite sample from (Italy, Bari University, Dipartimento Geomineralogico), electron microprobe analysis; Pb4.00Bi0.04As1.96S5.91Se0.10Cl0.98I1.00, single crystal (determination of cell parameters), single crystal, 0.022×0.030×0.032 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pb4As2S6ICl
  • Alphabetic Formula: As2ClIPb4S6
  • Published Formula: Pb4As2S6ICl, LT -structure
  • Refined Formula: As2ClIPb4S6
  • Wyckoff Sequence: 31,b2a10
  • Z Formula Units: 2
  • Density: ρ = 6.15 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_1219252

  • 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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