Crystal Lattice Structures:	Creation Date: 30 Jan 1996
	Last Modified: 17 Feb 2007

The Cubic Perovskite (E2₁) Structure

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.
• visualize the structure (Uses the JMOL Applet)

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• 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 Pm3m:
  • 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.
• 17 Feb 2007: Fixed the index on the last basis vector, which previously read 4.

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• Prototype: CaTiO₃
• Pearson Symbol: cP5
• Strukturbericht Designation: E2₁
• Space Group: Pm3m (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)
  B5	=	½ A1 + ½ A2	=	½ a X + ½ a Y	(O)	(3c)

See these vectors in LaTeX output format.

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Structures indexed by: Strukturbericht Symbol Pearson Symbol Space Group Prototype

This is a mirror of an old page created at the Naval Research Laboratory Center for Computational Materials Science The maintained successor is hosted at http://www.aflowlib.org/CrystalDatabase/ and published as M. Mehl et al., Comput. Mater. Sci. 136 (Supp.), S1-S828 (2017).