Inorganic Solid Phases

Sm0.5(1−x)Sr0.5(1−x)BaxCo1−0.3xFe0.2xNb0.1xO3−d, x= 0.5 (Ba0.50Sr0.25Sm0.25Nb0.05Fe0.10Co0.85O2.49) Crystal Structure

General Information

  • Phase Label(s): Ba0.50Sr0.25Sm0.25Nb0.05Fe0.10Co0.85O2.49
  • 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; Bruker AXS D8 ADVANCE (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; composition dependence studied, Rietveld refinement, RP = 0.0182; wRP = 0.0231
  • Sample Detail(s): sample prepared from Sm[NO3]3[H2O]6, Sr[NO3]2, Co[NO3]2[H2O]6, Ba[NO3]2, Fe[NO3]3[H2O]9, C4H4NNbO9[H2O], titration; O content analyzed: Ba0.50Sr0.25Sm0.25Nb0.05Fe0.10Co0.85O3−d, d= 0.514(27), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.50Sr0.25Sm0.25Nb0.05Fe0.10Co0.85O2.49
  • Alphabetic Formula: Ba0.50Co0.85Fe0.10Nb0.05O2.49Sm0.25Sr0.25
  • Published Formula: Sm0.5(1−x)Sr0.5(1−x)BaxCo1−0.3xFe0.2xNb0.1xO3−d, x= 0.5
  • Refined Formula: Ba0.50Co0.85Fe0.10Nb0.05O2.46Sm0.25Sr0.25
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 6.28 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_1946567

  • 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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