Inorganic Solid Phases

Pb(Sc1/2Nb1/2)O3 ferroelectric (Sc0.5Nb0.5PbO3 rt, T = 358 K) Crystal Structure

General Information

  • Phase Label(s): Sc0.5Nb0.5PbO3 rt
  • Structure Class(es):
  • Classification by Properties: ferroelectric FE, nonmetal, pyroelectric
  • Mineral Name(s):
  • Pearson Symbol: hR15
  • Space Group: 160
  • Phase Prototype: (Zn0.33Nb0.67)PbO3
  • Measurement Detail(s): automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1594 nm (determination of structural parameters), T = 358 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, RP = 0.0540; wRP = 0.0518; RB = 0.0301
  • Sample Detail(s): sample prepared from Sc2O3, Nb2O5, PbO, electron microprobe analysis; Pb(Sc0.48Nb0.52)O3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Sc0.5Nb0.5PbO3
  • Alphabetic Formula: Nb0.5O3PbSc0.5
  • Published Formula: Pb(Sc1/2Nb1/2)O3 ferroelectric
  • Refined Formula: Nb0.52O3PbSc0.48
  • Wyckoff Sequence: 160,ba2
  • Z Formula Units: 3
  • Density: ρ = 7.91 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]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1020170

  • 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

    Citation copied