Inorganic Solid Phases

(1-x)BiFeO3-xPbZrO3, x= 0.2 (Zr0.2Fe0.8Pb0.2Bi0.8O3, T = 10 K) Crystal Structure

General Information

  • Phase Label(s): Zr0.2Fe0.8Pb0.2Bi0.8O3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR30
  • Space Group: 161
  • Phase Prototype: LiNbO3
  • Measurement Detail(s): automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.191 nm (determination of structural parameters), T = 10 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, RP = 0.0295; wRP = 0.0371; RB = 0.0374
  • Sample Detail(s): sample prepared from Bi(CH3COO)3, Fe2O3 (hematite), PbCO3, Zr(C5H7O2)4[H2O]10, chemical analysis, considering weight loss during preparation; weight loss during preparation < 0.01 wt.%; Bi/Pb/Fe/Zr ratio 0.79(3)/0.18(3)/0.82(2)/0.21(2), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Zr0.2Fe0.8Pb0.2Bi0.8O3
  • Alphabetic Formula: Bi0.8Fe0.8O3Pb0.2Zr0.2
  • Published Formula: (1-x)BiFeO3-xPbZrO3, x= 0.2
  • Refined Formula: Bi0.80Fe0.80O3Pb0.20Zr0.20
  • Wyckoff Sequence: 161,ba2
  • Z Formula Units: 6
  • Density: ρ = 8.31 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_1715869

  • 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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