Inorganic Solid Phases

NaCe2(CO3)2[(CO3)1−xF2x]F, F/C= 0.59 (NaCe2[CO3]2.7F1.6) Crystal Structure

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General Information

  • Phase Label(s): NaCe2[CO3]2.7F1.6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): arisite-(Ce)
  • Pearson Symbol: hP16
  • Space Group: 187
  • Phase Prototype: NaCe2[CO3]2.7F1.6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (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 on F2; 270 reflections; F > 4σ(F), R = 0.0166; wR = 0.0431
  • Sample Detail(s): arisite sample from Namibia, Aris phonolite, electron microprobe analysis; (Na0.97Ca0.03)(La0.80Ce0.93Nd0.11Pr0.04Sm0.01Ca0.11Sr0.01)[CO3]2(F0.59[CO3]0.70)F, single crystal (determination of cell parameters), single crystal, 0.15×0.29×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaCe2[CO3]2.7F1.6
  • Alphabetic Formula: [CO3]2.7Ce2F1.6Na
  • Published Formula: NaCe2(CO3)2[(CO3)1−xF2x]F, F/C= 0.59
  • Refined Formula: C3Ce2FNaO9
  • Wyckoff Sequence: 187,nkigdca
  • Z Formula Units: 1
  • Density: ρ = 4.20 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1225405

  • 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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