Inorganic Solid Phases

Pb0.45(H3O)0.55Fe2.86(SO4)1.49(AsO4)0.51(OH)5.52 ([H3O]0.55Fe2.86Pb0.45[AsO4]0.51[SO4]1.49[OH]5.52) Crystal Structure

General Information

  • Phase Label(s): [H3O]0.55Fe2.86Pb0.45[AsO4]0.51[SO4]1.49[OH]5.52
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR75
  • Space Group: 166
  • Phase Prototype: HCaAl3[PO4]2[OH]6
  • Measurement Detail(s): automatic diffractometer; Siemens D500 (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, sulfate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 19 variables, RP = 0.137; wRP = 0.182; RB = 0.168
  • Sample Detail(s): sample prepared from Fe2[SO4]3, Pb[NO3]2, H3[AsO4], atomic absorption spectroscopy, inductive coupled plasma method; Pb0.45[H3O]0.55Fe2.86[SO4]1.49[AsO4]0.51[OH]5.52, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: [H3O]0.55Fe2.86Pb0.45[AsO4]0.51[SO4]1.49[OH]5.52
  • Alphabetic Formula: [AsO4]0.51Fe2.86[H3O]0.55[OH]5.52Pb0.45[SO4]1.49
  • Published Formula: Pb0.45(H3O)0.55Fe2.86(SO4)1.49(AsO4)0.51(OH)5.52
  • Refined Formula: As0.51Fe2.86H7.17O14.07Pb0.45S1.49
  • Wyckoff Sequence: 166,h2gec2
  • Z Formula Units: 3
  • Density: ρ = 3.60 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1253355

  • 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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