Inorganic Solid Phases

BiScO3-0.64PbTiO3 (Sc0.4Ti0.6Pb0.6Bi0.4O3 ht1) Crystal Structure

General Information

  • Phase Label(s): Sc0.4Ti0.6Pb0.6Bi0.4O3 ht1
  • Structure Class(es): perovskite
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: tP5
  • Space Group: 99
  • Phase Prototype: BaTiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RINT-2000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RB = 0.0233
  • Sample Detail(s): sample prepared from tetrabutyl titanate, acetyl acetone, isopropyl alcohol, acetic acid, bismuth nitrate, lead acetate, scandium acetate, amounts of monoclinic phase (35 mol.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sc0.36Ti0.64Pb0.64Bi0.36O3
  • Alphabetic Formula: Bi0.36O3Pb0.64Sc0.36Ti0.64
  • Published Formula: BiScO3-0.64PbTiO3
  • Refined Formula: Bi0.36O3Pb0.64Sc0.36Ti0.64
  • Wyckoff Sequence: 99,cba2
  • Z Formula Units: 1
  • Density: ρ = 7.75 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_1931367

  • 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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