The Perovskite Structure

Last modified 5 April 2001

You can now

• see the structure from several perspectives;
• examine the structure with an external viewer; or
• download the coordinates of the atoms in these pictures in XYZ format.

Cubic Perovskite is actually the high temperature phase of the compounds listed below. The ground states are usually distorted perovskite structures. Many of these substances are ferroelectric.

By removing one atom type we get various structures, all with space group Pm(-3)m:

• Removing the Calcium atoms leads to the ReO₃ (D0₉) structure.
• Removing the Titanium atoms leads to the Cu₃Au (L1₂) structure.
• Removing the Oxygen atoms leads to the CsCl (B2) structure.
• Removing the Calcium or Titanium and the Oxygen atoms leads to the simple cubic (A_h) structure.

• Prototype: CaTiO₃
• Pearson Symbol: cP5
• Strukturbericht Designation: E2₁
• Space Group: Pm(-3)m (Cartesian and lattice coordinate listings available)
• Number: 221
• Other Compounds with this Structure: BaTiO₃, PbTiO₃, PbZrO₃
• Primitive Vectors:
  • A₁ = a X
  • A₂ = a Y
  • A₃ = a Z
• Basis Vectors:
  • B₁ = 0   (Ca)   (1a)
  • B₂ = ½ A₁ + ½ A₂ + ½ A₃ = ½ a X + ½ a Y + ½ a Z   (Ti)   (1b)
  • B₃ = ½ A₂ + ½ A₃ = ½ a Y + ½ a Z   (O)   (3c)
  • B₄ = ½ A₁ + ½ A₃ = ½ a X + ½ a Z   (O)   (3c)
  • B₄ = ½ A₁ + ½ A₂ = ½ a X + ½ a Y   (O)   (3c)

See these vectors in a better notation.

Go back to the Perovskite Structure page.

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