Inorganic Solid Phases

Na2/3Th1/3TiO3 (Na0.67Th0.33TiO3 tet) Crystal Structure

General Information

  • Phase Label(s): Na0.67Th0.33TiO3 tet
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP10
  • Space Group: 123
  • Phase Prototype: La0.67TiO2.87
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW3710 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.164; wRP = 0.113; RB = 0.061
  • Sample Detail(s): sample prepared from Na2CO3, TiO2 rutile, ThO2, electron microprobe analysis, energy-dispersive X-ray analysis; trace amounts of TiO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.667Th0.333TiO3
  • Alphabetic Formula: Na0.667O3Th0.333Ti
  • Published Formula: Na2/3Th1/3TiO3
  • Refined Formula: Na0.67O3Th0.34Ti
  • Wyckoff Sequence: 123,igdcba
  • Z Formula Units: 2
  • Density: ρ = 5.50 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1613950

  • 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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