Inorganic Solid Phases

CaTiO3 Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): CaTiO3 rt
  • Structure Class(es): perovskite
  • Classification by Properties: Pauli paramagnet, intermediate valence, metal, semiconductor
  • Mineral Name(s): perovskite
  • Pearson Symbol: oP20
  • Space Group: 62
  • Phase Prototype: GdFeO3
  • Measurement Detail(s): automatic diffractometer; Rigaku D/MAX-2500 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.15406 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.1147; RB = 0.44
  • Sample Detail(s): sample prepared from TiCl4, CaCl2[H2O]2, KOH, atomic emission spectroscopy, inductive coupled plasma method; Ca/Ti ratio 1.023(3), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: CaTiO3
  • Alphabetic Formula: CaO3Ti
  • Published Formula: CaTiO3
  • Refined Formula: CaO3Ti
  • Wyckoff Sequence: 62,dc2a
  • Z Formula Units: 4
  • Density: ρ = 3.97 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1717246

  • 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