Inorganic Solid Phases

(Na0.80Ce0.18Ca0.02)(Y0.48La0.20Ce0.21Pr0.04Nd0.12Sm0.03Gd0.03Dy0.04Er0.04Yb0.03)(HCO3)[O6.97F0.03]H9.93 (HNa0.8La0.2Y0.48Ce0.45Nd0.15Dy0.07Er0.07[CO3][OH]4.04[H2O]2.96) Crystal Structure

General Information

  • Phase Label(s): HNa0.8La0.2Y0.48Ce0.45Nd0.15Dy0.07Er0.07[CO3][OH]4.04[H2O]2.96
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): thomasclarkite-(Y)
  • Pearson Symbol: mP15
  • Space Group: 3
  • Phase Prototype: HNa0.8La0.2Y0.48Ce0.45Nd0.15Dy0.07Er0.07[CO3][OH]4.04[H2O]2.96
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P3/P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 72 variables; 843 reflections; F > 4σ(F), R = 0.055; wR = 0.157
  • Sample Detail(s): thomasclarkite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; (Na0.80Ce0.18Ca0.02)(Y0.48La0.20Ce0.21Pr0.04Nd0.12Sm0.03Gd0.03Dy0.04Er0.04Yb0.03)(HCO3)[O6.97F0.03]H9.93, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HNa0.8La0.2Y0.48Ce0.45Nd0.15Dy0.07Er0.07[CO3][OH]4.04[H2O]2.96
  • Alphabetic Formula: [CO3]Ce0.45Dy0.07Er0.07H[H2O]2.96La0.2Na0.8Nd0.15[OH]4.04Y0.48
  • Published Formula: (Na0.80Ce0.18Ca0.02)(Y0.48La0.20Ce0.21Pr0.04Nd0.12Sm0.03Gd0.03Dy0.04Er0.04Yb0.03)(HCO3)[O6.97F0.03]H9.93
  • Refined Formula: CCe0.41H10.96La0.20Na0.80Nd0.12O10Y0.47
  • Wyckoff Sequence: 3,e5da4
  • Z Formula Units: 1
  • Density: ρ = 2.33 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]

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_1818536

  • 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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