Inorganic Solid Phases

BaTiO2.5H0.5 (BaTiO2.38H0.62) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): BaTiO2.38H0.62
  • Structure Class(es): perovskite
  • Classification by Properties: ferroelectric FE, nonmetal
  • Mineral Name(s): –
  • Pearson Symbol: cP5
  • Space Group: 221
  • Phase Prototype: CaTiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL02B2 (determination of structural parameters), X-rays, synchrotron (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydride, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0336; wRP = 0.0443; RB = 0.0199
  • Sample Detail(s): sample prepared from BaTiO3, CaH2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaTiO2.5H0.5
  • Alphabetic Formula: BaH0.5O2.5Ti
  • Published Formula: BaTiO2.5H0.5
  • Refined Formula: BaO2.51Ti
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 5.73 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1945626

  • 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

    Download this citation

    Citation copied