Inorganic Solid Phases

Pb0.6Bi3.4Cs0.6O4Cl4 (Cs0.6Pb0.6Bi3.4Cl4O4) Crystal Structure

General Information

  • Phase Label(s): Cs0.6Pb0.6Bi3.4Cl4O4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI26
  • Space Group: 139
  • Phase Prototype: Cs0.6(Pb0.3Bi0.7)2Bi2Cl4O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC7S (determination of structural parameters), X-rays, Mo Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 18 variables; 232 reflections, R = 0.112; wR = 0.079
  • Sample Detail(s): sample prepared from PbO, BiOCl, CsCl, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs0.6Pb0.6Bi3.4Cl4O4
  • Alphabetic Formula: Bi3.4Cl4Cs0.6O4Pb0.6
  • Published Formula: Pb0.6Bi3.4Cs0.6O4Cl4
  • Refined Formula: Bi3.40Cl4Cs0.60O4Pb0.60
  • Wyckoff Sequence: 139,ge4a
  • Z Formula Units: 2
  • Density: ρ = 6.90 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1805223

  • 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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