Inorganic Solid Phases

Ba12Fe28Ti15O84 (Ba12Ti15Fe28O84) Crystal Structure

General Information

  • Phase Label(s): Ba12Ti15Fe28O84
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS278
  • Space Group: 12
  • Phase Prototype: Ba12Ti15Fe28O84
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Ag Kα; λ = 0.056083 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 2283 reflections, R = 0.047; wR = 0.048
  • Sample Detail(s): sample prepared from BaCO3, Fe2O3 (hematite), TiO2 rutile, KBO2, electron microprobe analysis; 42.5 wt.% Fe2O3, 33.3 wt.% BaO, 23.0 wt.% TiO2, single crystal (determination of cell parameters), single crystal, 0.066×0.090×0.140 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba12Ti15Fe28O84
  • Alphabetic Formula: Ba12Fe28O84Ti15
  • Published Formula: Ba12Fe28Ti15O84
  • Refined Formula: Ba12Fe29.28O84Ti13.72
  • Wyckoff Sequence: 12,j27i13hga
  • Z Formula Units: 2
  • Density: ρ = 5.36 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_1900621

  • 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

    Citation copied