Inorganic Solid Phases

(Ca,Na,Ce)(Na,Ce)3(Ti,Nb)3Ti2O12 (Na0.54Ca0.08Ce0.38Ti0.84Nb0.16O3) Crystal Structure

General Information

  • Phase Label(s): Na0.54Ca0.08Ce0.38Ti0.84Nb0.16O3
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s): loparite-(Ce) O
  • Pearson Symbol: oP20
  • Space Group: 62
  • Phase Prototype: GdFeO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 105 reflections; I > 3σ(I), R = 0.041
  • Sample Detail(s): loparite sample from Russia, Kola Peninsula, Lovozero massif, Mt. Alluaiv, electron microprobe analysis; (Na0.48Ca0.12Ce0.19La0.08Nd0.04Th0.01Sr0.05Pr0.01Eu0.01Sm0.01)(Ti0.87Nb0.13)O3, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.9Ca0.47Ce1.63Ti3.46Nb0.54O12
  • Alphabetic Formula: Ca0.47Ce1.63Na1.9Nb0.54O12Ti3.46
  • Published Formula: (Ca,Na,Ce)(Na,Ce)3(Ti,Nb)3Ti2O12
  • Refined Formula: Ca0.47Ce1.63Na1.90Nb0.54O12Ti3.46
  • Wyckoff Sequence: 224,kdcba
  • Z Formula Units: 2
  • Density: ρ = 4.95 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_1001616

  • 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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