Inorganic Solid Phases

(1-x)BiFeO3-(x)Pb(Zr0.52Ti0.48)O3, x= 0.40 (Zr0.104Ti0.096Fe0.8Pb0.2Bi0.8O3) Crystal Structure

General Information

  • Phase Label(s): Zr0.104Ti0.096Fe0.8Pb0.2Bi0.8O3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS20
  • Space Group: 9
  • Phase Prototype: (Zr0.52Ti0.48)PbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0314; wRP = 0.0476; RB = 0.0457
  • Sample Detail(s): sample prepared from Pb(CH3CO2)2[H2O]3, Zr(OCH2CH2CH3)4, Ti[OCH(CH3)2]4, Bi[NO3]2[H2O]5, Fe[NO3]2[H2O]9, 2-methoxyethanol, acetic acid, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zr0.208Ti0.192Fe0.6Pb0.4Bi0.6O3
  • Alphabetic Formula: Bi0.6Fe0.6O3Pb0.4Ti0.192Zr0.208
  • Published Formula: (1-x)BiFeO3-(x)Pb(Zr0.52Ti0.48)O3, x= 0.40
  • Refined Formula: Bi0.60Fe0.60O3Pb0.40Ti0.19Zr0.21
  • Wyckoff Sequence: 9,a5
  • Z Formula Units: 4
  • Density: ρ = 8.54 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1042366

  • 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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