Inorganic Solid Phases

Pb(Sc0.5Nb0.5)O3 (Sc0.5Nb0.5PbO3 rt, T = 400 K) Crystal Structure

General Information

  • Phase Label(s): Sc0.5Nb0.5PbO3 rt
  • Structure Class(es):
  • Classification by Properties: ferroelectric FE, nonmetal, pyroelectric, relaxor
  • Mineral Name(s):
  • Pearson Symbol: hR15
  • Space Group: 160
  • Phase Prototype: (Zn0.33Nb0.67)PbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; KM-4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 400 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 17 variables; 161 reflections; I > 2σ(I), R = 0.0676; wR = 0.1024
  • Sample Detail(s): sample prepared from PbO, Nb2O5, Sc2O3, single crystal (determination of cell parameters), single crystal, 0.15×0.18×0.21 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sc2Nb2Pb4O12
  • Alphabetic Formula: Nb2O12Pb4Sc2
  • Published Formula: Pb(Sc0.5Nb0.5)O3
  • Refined Formula: Nb2O12Pb4Sc2
  • Wyckoff Sequence: 224,gfedba
  • Z Formula Units: 2
  • Density: ρ = 7.87 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1201106

  • 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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