Inorganic Solid Phases

PbZrO3 (ZrPbO3 rt orth, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): ZrPbO3 rt orth
  • Structure Class(es): perovskite
  • Classification by Properties: antiferroelectric AFE, ferroelectric FE, nonmetal, piezoelectric
  • Mineral Name(s):
  • Pearson Symbol: oP40
  • Space Group: 55
  • Phase Prototype: ZrPbO3
  • Measurement Detail(s): automatic diffractometer; 6 (determination of cell parameters), automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), Photon Factory, BL-10A (determination of structural parameters), X-rays, synchrotron; λ = 0.035 nm (determination of cell and structural parameters), T = 300 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 21 variables; 335 reflections; F > 0σ(F), R = 0.047; wR = 0.045
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.15×0.09×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: ZrPbO3
  • Alphabetic Formula: O3PbZr
  • Published Formula: PbZrO3
  • Refined Formula: O3PbZr
  • Wyckoff Sequence: 55,i2h2g2fe
  • Z Formula Units: 8
  • Density: ρ = 8.07 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_1110658

  • 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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