Inorganic Solid Phases

PbFe3(PO4)1.3(AsO4)0.4(SO4)0.3(OH,H2O)6 (Fe3Pb[AsO4]0.4[PO4]1.3[SO4]0.3[OH]5.3[H2O]0.7) Crystal Structure

General Information

  • Phase Label(s): Fe3Pb[AsO4]0.4[PO4]1.3[SO4]0.3[OH]5.3[H2O]0.7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kintoreite
  • Pearson Symbol: hR93
  • Space Group: 166
  • Phase Prototype: Fe3Pb[AsO4]0.4[PO4]1.3[SO4]0.3([OH]0.88[H2O]0.12)6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, orthophosphate, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 31 variables; 183 reflections; I > 2σ(I), R = 0.03; wR = 0.03
  • Sample Detail(s): kintoreite sample from Australia, New South Wales, Broken Hill, Kintore opencut, electron microprobe analysis; P0.65As0.20S0.15, single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe3Pb[AsO4]0.4[PO4]1.3[SO4]0.3[OH]5.3[H2O]0.7
  • Alphabetic Formula: [AsO4]0.4Fe3[H2O]0.7[OH]5.3[PO4]1.3Pb[SO4]0.3
  • Published Formula: PbFe3(PO4)1.3(AsO4)0.4(SO4)0.3(OH,H2O)6
  • Refined Formula: As0.32Fe3H6.72O14P1.46PbS0.22
  • Wyckoff Sequence: 166,ih2ec2
  • Z Formula Units: 3
  • Density: ρ = 4.34 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_1813282

  • 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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