Crystal Lattice Structures:	Creation Date:  2 Jan 2003
	Last Modified: 21 Oct 2004

The Monoclinic PZT 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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• This is a monoclinic ferroelectric distortion of the Perovskite structure. In PbZr_xTi_1-xO₃ (aka PZT) it is found only when x =; 0.52.
• Without lose of generality we can take any one of the (2a) atoms to be at the origin.To create the pictures placed the Pb atom at the origin.

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• Prototype: PbZr_0.52Ti_0.48O₃
• Pearson Symbol: mC10
• Space Group: Cm (Cartesian and lattice coordinate listings available)
• Number: 8
• Reference: B. Noheda et al., Phys. Rev. B 61, 8687 (2000).
• Primitive Vectors:

  A1	=	½ a X - ½ b Y
  A2	=	½ a X + ½ b Y
  A3	=	c cosβ X + c sinβ Z

• Basis Vectors:

  B1	=	x1 A1 + x1 A2 + z1 A3	=	(x1 a + z1 c cosβ) X + z1 c sinβ Z	(Pb)	(2a)
  B2	=	x2 A1 + x2 A2 + z2 A3	=	(x2 a + z2 c cosβ) X + z2 c sinβ Z	(Zr)	(2a)
  B3	=	x3 A1 + x3 A2 + z3 A3	=	(x3 a + z3 c cosβ) X + z3 c sinβ Z	(O-I)	(2a)
  B4	=	(x4 + y4) A1 + (x4 - y4) A2 + z4 A3	=	(x4 a + z4 c cosβ) X + y4 b Y + z4 c sinβ Z	(O-II)	(4b)
  B5	=	(x4 - y4) A1 + (x4 + y4) A2 + z4 A3	=	(x4 a + z4 c cosβ) X - y4 b Y + z4 c sinβ Z	(O-II)	(4b)

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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).