Inorganic Solid Phases

(Y,REE)2Al(Si2O7)(OH)2F (Y0.8Ce0.4Nd0.4Gd0.2Dy0.2Al[Si2O7][OH]2F) Crystal Structure

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General Information

  • Phase Label(s): Y0.8Ce0.4Nd0.4Gd0.2Dy0.2Al[Si2O7][OH]2F
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): schlüterite-(Y)
  • Pearson Symbol: mP60
  • Space Group: 14
  • Phase Prototype: (Y0.4Ce0.2Nd0.2Gd0.1Dy0.1)2Al[Si2O7][OH]2F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, disilicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 2063 reflections; F > 4σ(F), R = 0.018; wR = 0.046
  • Sample Detail(s): schlüterite-(Y) sample from Norway, Nordland, Tysfjord, electron microprobe analysis; (Y0.73Ce0.32Nd0.30Gd0.14Dy0.12La0.11Sm0.11Pr0.07Er0.06Yb0.05)Al0.99Si2.01O7[OH]2.24F0.76, single crystal (determination of cell parameters), single crystal, 0.007×0.025×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Y0.8Ce0.4Nd0.4Gd0.2Dy0.2Al[Si2O7][OH]2F
  • Alphabetic Formula: AlCe0.4Dy0.2FGd0.2Nd0.4[OH]2[Si2O7]Y0.8
  • Published Formula: (Y,REE)2Al(Si2O7)(OH)2F
  • Refined Formula: AlCe0.32Dy0.12Er0.04FGd0.14H2La0.11Nd0.30O9Pr0.07Si2Sm0.11Y0.79
  • Wyckoff Sequence: 14,e15
  • Z Formula Units: 4
  • Density: ρ = 4.61 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1230411

  • 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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