Inorganic Solid Phases

(Pb0.94Sr0.06)(ZrxTi1−x)O3, x= 0.530 (Sr0.06Zr0.53Ti0.47Pb0.94O3 rt, T = 4 K) Crystal Structure

General Information

  • Phase Label(s): Sr0.06Zr0.53Ti0.47Pb0.94O3 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS10
  • Space Group: 8
  • Phase Prototype: (Nb0.5Fe0.5)PbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Lucas Heights, Australian Nuclear Science and Technology Organisation, OPAL reactor, ECHIDNA (determination of structural parameters), neutrons; λ = 0.244 nm (determination of cell and structural parameters), T = 4 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0333; wRP = 0.0447
  • Sample Detail(s): sample prepared from (Pb0.94Sr0.06)CO3, (ZrxTi1−x)O2, amounts of lt2 phase (70 wt.%) at 4 K, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.06Zr0.53Ti0.47Pb0.94O3
  • Alphabetic Formula: O3Pb0.94Sr0.06Ti0.47Zr0.53
  • Published Formula: (Pb0.94Sr0.06)(ZrxTi1−x)O3, x= 0.530
  • Refined Formula: O3Pb0.94Sr0.06Ti0.47Zr0.53
  • Wyckoff Sequence: 8,ba3
  • 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1825802

  • 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