Inorganic Solid Phases

gramaccioliite-(Y), (Pb,Sr)(Y,Mn)(Ti,Fe)18Fe2O38 (Sr0.3Y0.5Ce0.1U0.1Ti13.5Mn0.5Fe6.3Pb0.7O38) Crystal Structure

General Information

  • Phase Label(s): Sr0.3Y0.5Ce0.1U0.1Ti13.5Mn0.5Fe6.3Pb0.7O38
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gramaccioliite-(Y)
  • Pearson Symbol: hR180
  • Space Group: 148
  • Phase Prototype: Ti12(Ti0.33Fe0.67)6MnFe2PbO38
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 750 reflections; F > 4σ(F), R = 0.0861; wR = 0.2499
  • Sample Detail(s): gramaccioliite sample from Italy, Alps, Piedmont, Valle Stura, Argentera massif, electron microprobe analysis; K0.004Pb0.613Sr0.274Ba0.023U4+0.022Y0.488Mn2+0.371Ce0.078Ca0.039Nd0.022La0.016Ti13.525Fe3+5.494Zn0.221V0.044Nb0.044O38, single crystal (determination of cell parameters), single crystal, 0.05×0.5×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr0.3Y0.5Ce0.1U0.1Ti13.5Mn0.5Fe6.3Pb0.7O38
  • Alphabetic Formula: Ce0.1Fe6.3Mn0.5O38Pb0.7Sr0.3Ti13.5U0.1Y0.5
  • Published Formula: gramaccioliite-(Y), (Pb,Sr)(Y,Mn)(Ti,Fe)18Fe2O38
  • Refined Formula: Ce0.12Fe8Mn0.34O38Pb0.60Sr0.30Ti12U0.06Y0.48
  • Wyckoff Sequence: 148,f9c2ba
  • Z Formula Units: 3
  • Density: ρ = 4.82 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_1121167

  • 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

    Citation copied