Inorganic Solid Phases

(Y0.55Ree0.28Th0.10U0.03Ca0.02)(Ti1.81Nb0.09Ta0.01W0.09)(W0.02)O5.45(OH)0.55 (Y0.55Th0.12U0.02Dy0.29Ti1.95Nb0.03W0.04O5.26[OH]0.74) Crystal Structure

General Information

  • Phase Label(s): Y0.55Th0.12U0.02Dy0.29Ti1.95Nb0.03W0.04O5.26[OH]0.74
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): aeschynite-(Y)
  • Pearson Symbol: oP40
  • Space Group: 62
  • Phase Prototype: Y0.65Th0.06U0.04Dy0.22Ti1.95Nb0.05W0.03O5.23[OH]0.77
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 572 reflections; F > 8σ(F), R = 0.0359; wR = 0.0294
  • Sample Detail(s): aeschynite sample from Italy, Alps, Valle d'Aosta, Val Triolet, sample prepared from aeschynite-(Y), electron microprobe analysis; Ti1.811Nb0.095Ta0.006W0.107Ca0.017Y0.552Ce0.011Pr0.002Nd0.026Sm0.016Gd0.091Dy0.079Er0.034Yb0.022Th0.102U0.029[O,OH]6, single crystal (determination of cell parameters), single crystal, 0.030×0.150×0.270 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Y0.57Th0.10U0.03Dy0.28Ti1.82Nb0.09W0.11O5.45[OH]0.55
  • Alphabetic Formula: Dy0.28Nb0.09O5.45[OH]0.55Th0.10Ti1.82U0.03W0.11Y0.57
  • Published Formula: (Y0.55Ree0.28Th0.10U0.03Ca0.02)(Ti1.81Nb0.09Ta0.01W0.09)(W0.02)O5.45(OH)0.55
  • Refined Formula: Dy0.29Nb0.09O6Th0.10Ti1.82U0.03W0.11Y0.56
  • Wyckoff Sequence: 62,d3c4
  • Z Formula Units: 4
  • Density: ρ = 5.31 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601662

  • 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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