Inorganic Solid Phases

Pb(Fe,Al)3[(As,S)O4]2(OH)6 (Fe2.5Al0.5Pb[AsO4]1.1[SO4]0.9[OH]5.9[H2O]0.1) Crystal Structure

General Information

  • Phase Label(s): Fe2.5Al0.5Pb[AsO4]1.1[SO4]0.9[OH]5.9[H2O]0.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): beudantite
  • Pearson Symbol: hR75
  • Space Group: 166
  • Phase Prototype: HCaAl3[PO4]2[OH]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, 585 reflections; I > 1.65σ(I), R = 0.037
  • Sample Detail(s): beudantite sample from Namibia, Tsumeb, Tsumeb mine, electron microprobe analysis; 29.5 wt.% Pb, 20.2 wt.% Fe, 1.8 wt.% Al, 11.4 wt.% As, 4.2 wt.% S, single crystal (determination of cell parameters), single crystal, 0.24 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe2.5Al0.5Pb[AsO4]1.1[SO4]0.9[OH]5.9[H2O]0.1
  • Alphabetic Formula: Al0.5[AsO4]1.1Fe2.5[H2O]0.1[OH]5.9Pb[SO4]0.9
  • Published Formula: Pb(Fe,Al)3[(As,S)O4]2(OH)6
  • Refined Formula: Al0.45As1.07Fe2.55H6O14PbS0.93
  • Wyckoff Sequence: 166,h2gec2
  • Z Formula Units: 3
  • Density: ρ = 4.43 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

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_1617881

  • 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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