Inorganic Solid Phases

PrxY1−xFe3(BO3)4, x= 0.67 (Y0.5Pr0.5Fe3[BO3]4, T = 300 K) Crystal Structure

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General Information

  • Phase Label(s): Y0.5Pr0.5Fe3[BO3]4
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hR60
  • Space Group: 155
  • Phase Prototype: CaMg3[CO3]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1594 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthoborate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RB = 0.038
  • Sample Detail(s): sample prepared from PrxY1−xFe3[BO3]4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Y0.33Pr0.67Fe3[BO3]4
  • Alphabetic Formula: [BO3]4Fe3Pr0.67Y0.33
  • Published Formula: PrxY1−xFe3(BO3)4, x= 0.67
  • Refined Formula: B4Fe3O12Pr0.67Y0.33
  • Wyckoff Sequence: 155,fed3ba
  • Z Formula Units: 3
  • Density: ρ = 4.36 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1723088

  • 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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