Inorganic Solid Phases

(PbTiO3)1−x(BiFeO3)x, x= 0.65 (Ti0.35Fe0.65Pb0.35Bi0.65O3 ht, T = 828 K) Crystal Structure

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General Information

  • Phase Label(s): Ti0.35Fe0.65Pb0.35Bi0.65O3 ht
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP5
  • Space Group: 6
  • Phase Prototype: (Mg0.23Ti0.32Nb0.45)PbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 828 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0492; wRP = 0.0729
  • Sample Detail(s): sample prepared from Bi2O3, Fe2O3 (hematite), PbO, TiO2 rutile, amounts of tetragonal phase (65 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti0.35Fe0.65Pb0.35Bi0.65O3
  • Alphabetic Formula: Bi0.65Fe0.65O3Pb0.35Ti0.35
  • Published Formula: (PbTiO3)1−x(BiFeO3)x, x= 0.65
  • Refined Formula: Bi0.65Fe0.65O3Pb0.35Ti0.35
  • Wyckoff Sequence: 6,b2a3
  • Z Formula Units: 1
  • Density: ρ = 7.93 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

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_1930851

  • 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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