Inorganic Solid Phases

PbMg1/3Nb2/3O3 (Mg0.33Nb0.67PbO3 rt, T = 600 K) Crystal Structure

General Information

  • Phase Label(s): Mg0.33Nb0.67PbO3 rt
  • Structure Class(es): perovskite
  • Classification by Properties: ferroelectric FE, nonmetal, piezoelectric, relaxor
  • Mineral Name(s):
  • Pearson Symbol: cP5
  • Space Group: 221
  • Phase Prototype: CaTiO3
  • Measurement Detail(s): automatic diffractometer; 22 (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1384 nm (determination of cell parameters), neutrons; λ = 0.1595 nm (determination of structural parameters), T = 600 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, RP = 0.0588; wRP = 0.0935; RB = 0.0252
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.33Nb0.67PbO3
  • Alphabetic Formula: Mg0.33Nb0.67O3Pb
  • Published Formula: PbMg1/3Nb2/3O3
  • Refined Formula: Mg0.33Nb0.68O2.98Pb
  • Wyckoff Sequence: 221,nmkjig2e
  • Z Formula Units: 1
  • Density: ρ = 8.09 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_1900551

  • 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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