Inorganic Solid Phases

0.80Pb(Zn1/3Nb2/3)O3·0.20PbTiO3 (Zn0.27Ti0.2Nb0.53PbO3, T = 650 K) Crystal Structure

General Information

  • Phase Label(s): Zn0.27Ti0.2Nb0.53PbO3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP12
  • Space Group: 221
  • Phase Prototype: (Zr0.85Ti0.15)PbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL02B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.035633 nm (determination of cell and structural parameters), T = 650 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RB = 0.0172
  • Sample Detail(s): sample prepared from PbO, ZnO, Nb2O5, TiO2 rutile, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn0.266Ti0.2Nb0.534PbO3
  • Alphabetic Formula: Nb0.534O3PbTi0.2Zn0.266
  • Published Formula: 0.80Pb(Zn1/3Nb2/3)O3·0.20PbTiO3
  • Refined Formula: Nb0.53O3PbTi0.20Zn0.27
  • Wyckoff Sequence: 221,gda
  • Z Formula Units: 1
  • Density: ρ = 8.34 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1218590

  • 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