Inorganic Solid Phases

Ba2(TiO4) α' (Ba2TiO4 orth2) Crystal Structure

General Information

  • Phase Label(s): Ba2TiO4 orth2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP84
  • Space Group: 33
  • Phase Prototype: K2CoCl4
  • Measurement Detail(s): automatic diffractometer; 17 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα1; λ = 0.0709260 nm (determination of cell parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of structural parameters), T = 295 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, 2486 reflections; F2 > 0σ(F2), R = 0.063; wR = 0.102
  • Sample Detail(s): sample prepared from Ba2[TiO4], single crystal (determination of cell parameters), single crystal, 0.33×0.15×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba2TiO4
  • Alphabetic Formula: Ba2O4Ti
  • Published Formula: Ba2(TiO4) α'
  • Refined Formula: Ba2O4Ti
  • Wyckoff Sequence: 33,a21
  • Z Formula Units: 12
  • Density: ρ = 5.21 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_2042272

  • 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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