Crystal Lattice Structures:	Creation Date:  8 Jul 2008
	Last Modified: 17 Jul 2008

The CaCuO₂ 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 the parent compound of the high-T_c cuprate superconductors.
• The actual stoichiometry for the reference data is (Ca_0.86Sr_0.14)CuO₂.
• 18 July 2008: Corrected the Wyckoff positions of the Oxygen atoms.

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• Prototype: CaCuO₂
• Pearson Symbol: tP4
• Strukturbericht Designation: None
• Space Group: P4/mmm (Cartesian and lattice coordinate listings available)
• Number: 123
• Reference: T. Siegrist et al., Nature 334, 231-2 (1988).
• Primitive Vectors (Unique Monoclinic Axis b):

  A1	=	a X
  A2	=	b Y
  A3	=	c Z

• Basis Vectors:

  B1	=		0		(Cu)	(1a)
  B2	=	½ A1 + ½ A2 + ½ A3	=	½ a X + ½ a Y + ½ c Z	(Ca)	(1d)
  B3	=	½ A2	=	½ a Y	(O)	(2f)
  B4	=	½ A1	=	½ a X	(O)	(2f)

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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).