Inorganic Solid Phases

(Pb0.85La0.10)TiO3 (La0.03Ti0.35Pb0.30O1.05 rt, T = 300 K) Crystal Structure

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General Information

  • Phase Label(s): La0.03Ti0.35Pb0.30O1.05 rt
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: tP5
  • Space Group: 123
  • Phase Prototype: ZnMn3C
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.074; wRP = 0.109
  • Sample Detail(s): sample prepared from PbO, La2O3, TiO2 rutile, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: La0.03Ti0.35Pb0.30O1.05
  • Alphabetic Formula: La0.03O1.05Pb0.30Ti0.35
  • Published Formula: (Pb0.85La0.10)TiO3
  • Refined Formula: La0.03O1.05Pb0.30Ti0.35
  • Wyckoff Sequence: 123,fdba
  • Z Formula Units: 1
  • Density: ρ = 2.68 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

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_0382433

  • 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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