Inorganic Solid Phases

(Tl0.5Na0.5)TiO3 (Na0.5Tl0.5TiO3) Crystal Structure

General Information

  • Phase Label(s): Na0.5Tl0.5TiO3
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP9
  • Space Group: 123
  • Phase Prototype: (Na0.5Tl0.5)TiO3
  • Measurement Detail(s): automatic diffractometer; Rigaku RINT-2100 (determination of structural parameters), X-rays, Cu Kα; λ = 0.1540 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.1085
  • Sample Detail(s): sample prepared from TlNaO2, TiO2 rutile, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.5Tl0.5TiO3
  • Alphabetic Formula: Na0.5O3TiTl0.5
  • Published Formula: (Tl0.5Na0.5)TiO3
  • Refined Formula: Na0.50O3TiTl0.50
  • Wyckoff Sequence: 123,ig2d
  • Z Formula Units: 1
  • Density: ρ = 6.25 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_1715762

  • 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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