Inorganic Solid Phases

Pb3Cl4F(OH)·H2O (Pb3Cl4[OH]F[H2O] tricl) Crystal Structure

General Information

  • Phase Label(s): Pb3Cl4[OH]F[H2O] tricl
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fiedlerite 1A
  • Pearson Symbol: aP20
  • Space Group: 2
  • Phase Prototype: Pb3Cl4[OH]F[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Ital Structures (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, chloride, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; I > 3σ(I), R = 0.092
  • Sample Detail(s): fiedlerite sample from Italy, Tuscany, Baratti beach, electron microprobe analysis; 82.36 wt.% Pb, 17.46 wt.% Cl, 2.51 wt.% F, single crystal (determination of cell parameters), single crystal, 0.1×0.3×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pb3Cl4[OH]F[H2O]
  • Alphabetic Formula: Cl4F[H2O][OH]Pb3
  • Published Formula: Pb3Cl4F(OH)·H2O
  • Refined Formula: Cl4FH3O2Pb3
  • Wyckoff Sequence: 2,i10
  • Z Formula Units: 2
  • Density: ρ = 5.69 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_1813215

  • 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)

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