Inorganic Solid Phases

Ba5Co5−yFeyFO13−d, y= 3, (13-d)= 12.74 (Ba5FeCo4O12.40F) Crystal Structure

General Information

  • Phase Label(s): Ba5FeCo4O12.40F
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP56
  • Space Group: 194
  • Phase Prototype: Ba5Co5O12.88F0.77
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 3T2 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), neutrons; λ = 0.1225 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, RB = 0.0583
  • Sample Detail(s): sample prepared from BaCO3, Co3O4, Fe2O3 (hematite), BaF2, iodometric titration, thermogravimetry, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba5Fe3Co2O12.74F
  • Alphabetic Formula: Ba5Co2FFe3O12.74
  • Published Formula: Ba5Co5−yFeyFO13−d, y= 3, (13-d)= 12.74
  • Refined Formula: Ba5Co2.07F0.95Fe2.93O12.56
  • Wyckoff Sequence: 194,k2h2f3eba
  • Z Formula Units: 2
  • Density: ρ = 5.76 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_1634289

  • 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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