Inorganic Solid Phases

Bi3.4Pr0.6Ti3O12 (Pr0.6Ti3Bi3.4O12) Crystal Structure

General Information

  • Phase Label(s): Pr0.6Ti3Bi3.4O12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS76
  • Space Group: 41
  • Phase Prototype: (La0.5Bi0.5)2Ti3Bi2O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; South Korea, Daejeon, Korea Atomic Energy Research Institute, HANARO reactor, HRPD (determination of structural parameters), neutrons; λ = 0.18335 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.055; wRP = 0.069
  • Sample Detail(s): sample prepared from Bi[NO3]3[H2O]5, Pr[NO3]3[H2O]6, Ti[OCH(CH3)2]4, two-phase sample, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Pr0.6Ti3Bi3.4O12
  • Alphabetic Formula: Bi3.4O12Pr0.6Ti3
  • Published Formula: Bi3.4Pr0.6Ti3O12
  • Refined Formula: Bi3.46O12Pr0.54Ti3
  • Wyckoff Sequence: 41,b9a
  • Z Formula Units: 4
  • Density: ρ = 7.81 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_1920169

  • 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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