Inorganic Solid Phases

Bax([Cr,Fe,V]3+2xTi8−2x)O16 (Ba0.55Ti3.065V0.04Cr0.44Fe0.4O8) Crystal Structure

General Information

  • Phase Label(s): Ba0.55Ti3.065V0.04Cr0.44Fe0.4O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): redledgeite
  • Pearson Symbol: tI30
  • Space Group: 87
  • Phase Prototype: K0.75(Ti0.81Al0.19)4O8
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 27 variables; 221 reflections; F > 5σ(F), R = 0.015; wR = 0.019
  • Sample Detail(s): redledgeite sample from, electron microprobe analysis; Ba1.10(Cr3+0.88Fe3+0.80V3+0.08Ti6.13)O16, single crystal (determination of cell parameters), single crystal, 0.10×0.10×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.55Ti3.065V0.04Cr0.44Fe0.4O8
  • Alphabetic Formula: Ba0.55Cr0.44Fe0.4O8Ti3.065V0.04
  • Published Formula: Bax([Cr,Fe,V]3+2xTi8−2x)O16
  • Refined Formula: Ba0.56Cr0.44Fe0.40O8Ti3.06V0.04
  • Wyckoff Sequence: 87,h3ea
  • Z Formula Units: 2
  • Density: ρ = 4.34 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014180

  • 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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