Inorganic Solid Phases

Ce2CaF2(CO3)3 (CaCe2[CO3]3F2) Crystal Structure

General Information

  • Phase Label(s): CaCe2[CO3]3F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): parisite-(Ce)
  • Pearson Symbol: mS204
  • Space Group: 9
  • Phase Prototype: CaCe2[CO3]3F2
  • 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): carbonate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 203 variables; 2567 reflections; I > 3σ(I), R = 0.044; wR = 0.037
  • Sample Detail(s): parisite sample from Colombia, Muso mine, electron microprobe analysis; 10.70 wt.% CaO, 15.10 wt.% La2O3, 28.87 wt.% Ce2O3, 11.65 wt.% Nd2O3, 5.34 wt.% F, 24.58 wt.% CO2 et al., single crystal (determination of cell parameters), single crystal, 0.10×0.12×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaCe2[CO3]3F2
  • Alphabetic Formula: [CO3]3CaCe2F2
  • Published Formula: Ce2CaF2(CO3)3
  • Refined Formula: C3Ca0.98Ce2.02F2O9
  • Wyckoff Sequence: 9,a51
  • Z Formula Units: 12
  • Density: ρ = 4.39 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1617821

  • 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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