Inorganic Solid Phases

Pb(Fe, Cu, Al)3(SO4)2(OH)6 (CuFeAlPb[SO4]2[OH]6) Crystal Structure

General Information

  • Phase Label(s): CuFeAlPb[SO4]2[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): beaverite-(Cu)/osarizawaite
  • Pearson Symbol: hR60
  • Space Group: 166
  • Phase Prototype: KAl3[SO4]2[OH]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Seifert XRD-3000 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.17
  • Sample Detail(s): beaverite sample from U.S.A. Arizona, Graham County, Grand Reef, electron microprobe analysis; 33.08 wt.% PbO, 13.95 wt.% CuO, 20.38 wt.% Fe2O3, 1.00 wt.% Al2O3, 25.15 wt.% SO3, 6.45 wt.% H2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CuFeAlPb[SO4]2[OH]6
  • Alphabetic Formula: AlCuFe[OH]6Pb[SO4]2
  • Published Formula: Pb(Fe, Cu, Al)3(SO4)2(OH)6
  • Refined Formula: Al1.02Cu0.99Fe0.99H6O14PbS2
  • Wyckoff Sequence: 166,h2ec2b
  • Z Formula Units: 3
  • Density: ρ = 4.22 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624202

  • 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