Inorganic Solid Phases

Na4/3Ce26/3(SiO4)6(F1/3O2/3)2 (Na0.67Ce4.33[SiO4]6O0.67F0.33) Crystal Structure

General Information

  • Phase Label(s): Na0.67Ce4.33[SiO4]6O0.67F0.33
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP44
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens AED2 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, fluoride, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 41 variables; 666 reflections; F > 4σ(F), R = 0.0262; wR = 0.0616
  • Sample Detail(s): sample prepared from CeF4[H2O], Na2CO3, [MgO]2[SiO2]3[H2O], multi-phase sample, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.67Ce4.33[SiO4]6O0.67F0.33
  • Alphabetic Formula: Ce4.33F0.33Na0.67O0.67[SiO4]6
  • Published Formula: Na4/3Ce26/3(SiO4)6(F1/3O2/3)2
  • Refined Formula: Ce4.34F0.33Na0.66O12.67Si3
  • Wyckoff Sequence: 176,ih4fe
  • Z Formula Units: 2
  • Density: ρ = 6.94 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1120890

  • 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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