Inorganic Solid Phases

PbFe3H0.94[(PO4)0.97(SO4)0.03]2(OH)6 (H0.94Fe3Pb[PO4]1.94[SO4]0.06[OH]6) Crystal Structure

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General Information

  • Phase Label(s): H0.94Fe3Pb[PO4]1.94[SO4]0.06[OH]6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): kintoreite
  • Pearson Symbol: hR75
  • Space Group: 166
  • Phase Prototype: HCaAl3[PO4]2[OH]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthophosphate, sulfate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 35 variables; 463 reflections, R = 0.047; wR = 0.068
  • Sample Detail(s): kintoreite sample from Germany, Hesse, Dernbach, Westerwald area, Schöne Aussicht mine, electron microprobe analysis; Pb1.00Cu0.03Zn0.02Fe2.87H1.23[PO4]1.94[SO4]0.06[OH]6, single crystal (determination of cell parameters), single crystal, 0.07×0.08×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.94Fe3Pb[PO4]1.94[SO4]0.06[OH]6
  • Alphabetic Formula: Fe3H0.94[OH]6[PO4]1.94Pb[SO4]0.06
  • Published Formula: PbFe3H0.94[(PO4)0.97(SO4)0.03]2(OH)6
  • Refined Formula: Fe3H7O14P2Pb
  • Wyckoff Sequence: 166,h2gec2
  • Z Formula Units: 3
  • Density: ρ = 4.28 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223754

  • 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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