Inorganic Solid Phases

Pb4[PO4]2SO4 (Pb4[PO4]2[SO4] cub1) Crystal Structure

General Information

  • Phase Label(s): Pb4[PO4]2[SO4] cub1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI124
  • Space Group: 220
  • Phase Prototype: (Ca0.75Bi0.25)4[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Canada, Ontario, Hamilton, McMaster University, MNR reactor (determination of structural parameters), neutrons; λ = 0.13913 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, sulfate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 21 variables, wRP = 0.065; RB = 0.073
  • Sample Detail(s): sample prepared from [PbCO3]2Pb[OH]2, [NH4]2SO4, [NH4]2HPO4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Pb4[PO4]2[SO4]
  • Alphabetic Formula: [PO4]2Pb4[SO4]
  • Published Formula: Pb4[PO4]2SO4
  • Refined Formula: O12P2.01Pb4S0.99
  • Wyckoff Sequence: 220,e2ca
  • Z Formula Units: 4
  • Density: ρ = 6.45 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_1811620

  • 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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