Inorganic Solid Phases

Pb2.4Ba2.6Fe2Sc2TiO13 RT (Ba2.6Sc2TiFe2Pb2.4O13 rt, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Ba2.6Sc2TiFe2Pb2.4O13 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS50
  • Space Group: 65
  • Phase Prototype: (Ba0.42Pb0.58)5(Ti0.33Fe0.67)3Fe2O13
  • Measurement Detail(s): automatic diffractometer; Switzerland, Villigen, Paul Scherrer Institute, Laboratory for Neutron Scattering, SINQ, HRPT (determination of structural parameters), neutrons; λ = 0.14940 nm (determination of structural parameters), T = 300 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, R = 0.016; RP = 0.026; wRP = 0.032
  • Sample Detail(s): sample prepared from Pb[NO3]2, Ba[NO3]2, Fe[NO3]3[H2O]9, Sc[NO3]3[H2O]4, ammonium citratoperoxotitanate, H2C2O4[H2O], energy-dispersive X-ray analysis; Pb/Ba/Fe/Sc/Ti ratio 2.3/2.7/2.0/2.2/0.8; amounts of Sc2O3 (5 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba2.6Sc2TiFe2Pb2.4O13
  • Alphabetic Formula: Ba2.6Fe2O13Pb2.4Sc2Ti
  • Published Formula: Pb2.4Ba2.6Fe2Sc2TiO13 RT
  • Refined Formula: Ba2.61Fe2O13Pb2.39Sc2Ti
  • Wyckoff Sequence: 65,n3j3i2dba
  • Z Formula Units: 2
  • Density: ρ = 6.76 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_1530248

  • 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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