Inorganic Solid Phases

(1-x)PbTiO3-(x)BiAlO3, x= 0.20 (Ti0.95Al0.05Pb0.95Bi0.05O3 rt) Crystal Structure

General Information

  • Phase Label(s): Ti0.95Al0.05Pb0.95Bi0.05O3 rt
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP5
  • Space Group: 99
  • Phase Prototype: BaTiO3
  • Measurement Detail(s): automatic diffractometer; India, Trombay-Mumbai, Bhabha Atomic Research Centre BARC, DHRUVA reactor (determination of structural parameters), neutrons; λ = 0.1249 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement
  • Sample Detail(s): sample prepared from PbCO3, TiO2 rutile, Bi2O3, Al2O3, considering weight loss during preparation; weight loss during preparation 2-3 wt.%, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ti0.80Al0.20Pb0.80Bi0.20O3
  • Alphabetic Formula: Al0.20Bi0.20O3Pb0.80Ti0.80
  • Published Formula: (1-x)PbTiO3-(x)BiAlO3, x= 0.20
  • Refined Formula: Al0.20Bi0.20O3Pb0.80Ti0.80
  • Wyckoff Sequence: 99,cba2
  • Z Formula Units: 1
  • Density: ρ = 7.95 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_1717111

  • 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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