Inorganic Solid Phases

(Na,Ce,Ca)2(Ti,Nb)2O6 (Na0.48Ca0.14Ce0.38Ti0.90Nb0.10O3) Crystal Structure

General Information

  • Phase Label(s): Na0.48Ca0.14Ce0.38Ti0.90Nb0.10O3
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s): loparite-(Ce) Q
  • Pearson Symbol: tI20
  • Space Group: 140
  • Phase Prototype: SrZrO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 71 reflections; F > 4σ(F), R = 0.0257
  • Sample Detail(s): loparite sample from Russia, Kola Peninsula, Lovozero massif, Mt. Selsurt, energy-dispersive X-ray analysis; (Na0.447La0.092Ce0.193Pr0.020Nd0.043Ca0.137Sr0.043Th0.004)(Ti0.898Nb0.098Ta0.007Fe3+0.005)O3, single crystal (determination of cell parameters), single crystal, 0.02×0.16×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.48Ca0.14Ce0.38Ti0.90Nb0.10O3
  • Alphabetic Formula: Ca0.14Ce0.38Na0.48Nb0.10O3Ti0.90
  • Published Formula: (Na,Ce,Ca)2(Ti,Nb)2O6
  • Refined Formula: Ce0.37Na0.63Nb0.09O3Ti0.91
  • Wyckoff Sequence: 140,hcba
  • Z Formula Units: 4
  • Density: ρ = 4.79 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014117

  • 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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