Inorganic Solid Phases

Na2.97(Y0.67La0.01Ce0.04Pr0.01Nd0.07Sm0.02Gd0.02Tb0.01Dy0.06Ho0.02Er0.04Tm0.01Yb0.03Lu0.01)(CO3)3·3H2O (Na2.97Y0.67Ce0.06Nd0.07Gd0.05Dy0.08Er0.09[CO3]3[H2O]3) Crystal Structure

General Information

  • Phase Label(s): Na2.97Y0.67Ce0.06Nd0.07Gd0.05Dy0.08Er0.09[CO3]3[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): shomiokite-(Y)
  • Pearson Symbol: oP76
  • Space Group: 33
  • Phase Prototype: Na3Y[CO3]3[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nicolet P3 (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, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 2272 reflections; F > 6σ(F), R = 0.053; wR = 0.047
  • Sample Detail(s): shomiokite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, Poudrette quarry, electron microprobe analysis; Na2.97(Y0.67La0.01Ce0.04Pr0.01Nd0.07Sm0.02Gd0.02Tb0.01Dy0.06Ho0.02Er0.04Tm0.01Yb0.03Lu0.01)[CO3]3[H2O]3, single crystal (determination of cell parameters), single crystal, 0.10×0.10×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.97Y0.67Ce0.06Nd0.07Gd0.05Dy0.08Er0.09[CO3]3[H2O]3
  • Alphabetic Formula: [CO3]3Ce0.06Dy0.08Er0.09Gd0.05[H2O]3Na2.97Nd0.07Y0.67
  • Published Formula: Na2.97(Y0.67La0.01Ce0.04Pr0.01Nd0.07Sm0.02Gd0.02Tb0.01Dy0.06Ho0.02Er0.04Tm0.01Yb0.03Lu0.01)(CO3)3·3H2O
  • Refined Formula: C3Ce0.06Dy0.08Er0.09Gd0.05H6Na3Nd0.07O12Y0.65
  • Wyckoff Sequence: 33,a19
  • Z Formula Units: 4
  • Density: ρ = 2.67 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]

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_1818539

  • 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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