Inorganic Solid Phases

[(Y,Nd,Ce)Al(SO4)2(C2O4)·12H2O] (Y0.5Ce0.17Nd0.33Al[C2O4][SO4]2[H2O]12) Crystal Structure

General Information

  • Phase Label(s): Y0.5Ce0.17Nd0.33Al[C2O4][SO4]2[H2O]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): levinsonite-(Y)
  • Pearson Symbol: mP60
  • Space Group: 13
  • Phase Prototype: (Y0.6Nd0.4)Al[C2O4][SO4]2[H2O]12
  • 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 parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1861 reflections; I > 2σ(I), R = 0.024; wR = 0.026
  • Sample Detail(s): levinsonite sample from U.S.A. Tennessee, Great Smoky Mountains National Park, Alum Cave Bluff, electron microprobe analysis; Y0.33La0.02Ce0.12Pr0.03Nd0.23Sm0.12Eu0.02Gd0.08Dy0.04Er0.01Al[SO4]2[C2O4][H2O]12, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Y0.5Ce0.17Nd0.33Al[C2O4][SO4]2[H2O]12
  • Alphabetic Formula: Al[C2O4]Ce0.17[H2O]12Nd0.33[SO4]2Y0.5
  • Published Formula: [(Y,Nd,Ce)Al(SO4)2(C2O4)·12H2O]
  • Refined Formula: AlC2H24Nd0.74O24S2Y0.26
  • Wyckoff Sequence: 13,g13f3e
  • Z Formula Units: 2
  • Density: ρ = 2.14 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
B [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_1624484

  • 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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