Inorganic Solid Phases

PbZn0.3Fe3H0.24[(PO4)0.54(SO4)0.08(AsO4)0.38]2(OH)6 (H0.24Zn0.3Fe3Pb[AsO4]0.76[PO4]1.08[SO4]0.16[OH]6) Crystal Structure

General Information

  • Phase Label(s): H0.24Zn0.3Fe3Pb[AsO4]0.76[PO4]1.08[SO4]0.16[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kintoreite
  • Pearson Symbol: hR93
  • Space Group: 166
  • Phase Prototype: H0.24Zn0.3Fe3Pb[(As0.38P0.54S0.08)O4][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): arsenate, hydroxide, orthophosphate, sulfate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 37 variables; 461 reflections, R = 0.045; wR = 0.054
  • Sample Detail(s): kintoreite sample from Australia, New South Wales, Broken Hill, Kintore opencut, electron microprobe analysis; Pb1.04Cu0.03Zn0.24Fe3.01H0.19[PO4]1.06[SO4]0.16[AsO4]0.78[OH]6, single crystal (determination of cell parameters), single crystal, 0.05×0.07×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.24Zn0.3Fe3Pb[AsO4]0.76[PO4]1.08[SO4]0.16[OH]6
  • Alphabetic Formula: [AsO4]0.76Fe3H0.24[OH]6[PO4]1.08Pb[SO4]0.16Zn0.3
  • Published Formula: PbZn0.3Fe3H0.24[(PO4)0.54(SO4)0.08(AsO4)0.38]2(OH)6
  • Refined Formula: As0.77Fe3H6O14P1.07PbS0.16Zn0.31
  • Wyckoff Sequence: 166,h3gec2
  • Z Formula Units: 3
  • Density: ρ = 4.51 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223753

  • 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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