Inorganic Solid Phases

(Bi0.8Ba0.2)(Fe0.8Ti0.2)O3 (Ba0.5Ti0.5Fe0.5Bi0.5O3 ht, T = 850 K) Crystal Structure

General Information

  • Phase Label(s): Ba0.5Ti0.5Fe0.5Bi0.5O3 ht
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP5
  • Space Group: 221
  • Phase Prototype: CaTiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Garching, Forschungs-Neutronenquelle Heinz Maier-Leibnitz, FRM II reactor, SPODI (determination of structural parameters), neutrons; λ = 0.15483 nm (determination of cell and structural parameters), T = 850 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, wRP = 0.0271
  • Sample Detail(s): amounts of rhombohedral phase (14 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.2Ti0.2Fe0.8Bi0.8O3
  • Alphabetic Formula: Ba0.2Bi0.8Fe0.8O3Ti0.2
  • Published Formula: (Bi0.8Ba0.2)(Fe0.8Ti0.2)O3
  • Refined Formula: Ba0.20Bi0.80Fe0.80O3Ti0.20
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 7.69 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1933410

  • 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)

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