Inorganic Solid Phases

[Pb0.94Sr0.06][(Mn1/3Sb2/3)0.05(Zr0.49Ti0.51)0.95]O3 (Sr0.06Zr0.50Ti0.45Mn0.02Pb0.94Sb0.03O3) Crystal Structure

General Information

  • Phase Label(s): Sr0.06Zr0.50Ti0.45Mn0.02Pb0.94Sb0.03O3
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP5
  • Space Group: 99
  • Phase Prototype: BaTiO3
  • Measurement Detail(s): X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.165; wRP = 0.131; RB = 0.0313
  • Sample Detail(s): sample prepared from Pb0.94Sr0.06CO3, MnSb2O6, ZrO2, TiO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.06Zr0.47Ti0.48Mn0.02Pb0.94Sb0.03O3
  • Alphabetic Formula: Mn0.02O3Pb0.94Sb0.03Sr0.06Ti0.48Zr0.47
  • Published Formula: [Pb0.94Sr0.06][(Mn1/3Sb2/3)0.05(Zr0.49Ti0.51)0.95]O3
  • Refined Formula: Mn0.02O3Pb0.94Sb0.03Sr0.06Ti0.48Zr0.47
  • Wyckoff Sequence: 99,cba2
  • Z Formula Units: 1
  • Density: ρ = 7.96 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_1946079

  • 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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