Inorganic Solid Phases

(Bi,Pb)2Fe3+.2+O2(OH)(PO4); brendelite (FePb0.74Bi1.26[PO4]O2[OH]) Crystal Structure

General Information

  • Phase Label(s): FePb0.74Bi1.26[PO4]O2[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): brendelite
  • Pearson Symbol: mS30
  • Space Group: 12
  • Phase Prototype: Fe(Pb0.37Bi0.63)2[PO4]O2[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE AED2 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 44 variables; 480 reflections; F > 4σ(F), R = 0.071; wR = 0.037
  • Sample Detail(s): brendelite sample from Germany, Saxony, Schneeberg, Güldener Falk mine, energy-dispersive X-ray analysis; 47.10 wt.% Bi2O3, 26.08 wt.% PbO, 3.12 wt.% FeO, 9.44 wt.% Fe2O3, 10.71 wt.% P2O5, 0.32 wt.% As2O5, 0.24 wt.% V2O5, powder (determination of cell parameters), single crystal, 0.04×0.10×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: FePb0.74Bi1.26[PO4]O2[OH]
  • Alphabetic Formula: Bi1.26FeO2[OH][PO4]Pb0.74
  • Published Formula: (Bi,Pb)2Fe3+.2+O2(OH)(PO4); brendelite
  • Refined Formula: Bi1.26FeHO7PPb0.74
  • Wyckoff Sequence: 12,ji5a
  • Z Formula Units: 2
  • Density: ρ = 6.79 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1923562

  • 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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