Inorganic Solid Phases

Ba0.6Sr0.4Ti0.99Ta0.01O3 (Ba0.6Sr0.4Ti0.975Ta0.02O3) Crystal Structure

General Information

  • Phase Label(s): Ba0.6Sr0.4Ti0.975Ta0.02O3
  • 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; Siemens D5000 (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, wRP = 0.132
  • Sample Detail(s): sample prepared from Ba(CH3COO)2, Sr(CH3COO)2, Ti isopropoxide, Ta(IV)-ethonolate, X-ray fluorescence spectroscopy; 38.44 wt.% Ba, 16.34 wt.% Sr, 22.13 wt.% Ti, 0.81 wt.% Ta; amounts of (Ba,Sr)CO3 (4 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.6Sr0.4Ti0.99Ta0.01O3
  • Alphabetic Formula: Ba0.6O3Sr0.4Ta0.01Ti0.99
  • Published Formula: Ba0.6Sr0.4Ti0.99Ta0.01O3
  • Refined Formula: Ba0.60O3Sr0.40Ta0.01Ti0.99
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 5.70 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_1823547

  • 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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