Inorganic Solid Phases

Y3Fe3.14Al1.86O12 (Y3Fe2.5Al2.5O12 rt, T = 4.5 K) Crystal Structure

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General Information

  • Phase Label(s): Y3Fe2.5Al2.5O12 rt
  • Structure Class(es): garnet family
  • Classification by Properties: ferrimagnet FiM, ferromagnet FM, intermediate valence, semiconductor
  • Mineral Name(s): –
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Y3Al5O12
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; Switzerland, Würenlingen, Paul Scherrer Institute, SAPHIR reactor (determination of structural parameters), neutrons; λ = 0.2364(2) nm (determination of cell and structural parameters), T = 4.5 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; magnetic structure determined, Rietveld refinement, RB = 0.009
  • Sample Detail(s): sample prepared from Y2O3, Al2O3, Fe2O3 (hematite), chemical analysis; composition confirmed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Y3Fe3.14Al1.86O12
  • Alphabetic Formula: Al1.86Fe3.14O12Y3
  • Published Formula: Y3Fe3.14Al1.86O12
  • Refined Formula: Al1.86Fe3.14O12Y3
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 4.94 Mg·m−3
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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_0548276

  • 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)

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