Crystal Lattice Structures:	Creation Date: 31 Jul 1997
	Last Modified:  9 Jan 2009

The γCuTi (B11) 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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• A lattice with tetragonal symmetry. When c = 2 a, x₁ = 1/8, and x₂ = 5/8, the atoms are on the sites of a body-centered cubic lattice. If, on the other hand, c = 2 sqrt(2) a, with the same x_i, the atoms are on the site of a face-centered cubic lattice. This is the phase that Lu et al. refer to as ``Z2''.
• 9 Jan 2009: The positions of the (2c) sites are non-standard. Properly the Wyckoff (2c) positions are at +/- (1/4,1/4,x), not +/- (1/4,-1/4,x). The space group and position files are correct for the structure as written here. In the near future we will correct this page so that it follows the conventional definition.

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• Prototype: γCuTi
• Pearson Symbol: tP4
• Strukturbericht Designation: B11
• Space Group: P4/nmm (Cartesian and lattice coordinate listings available)
• Number: 129
• Other Compounds with this Structure: AuCu, AlRe
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	- ¼ A1 + ¼ A2 + x1 A3	=	- ¼ a X + ¼ a Y + x1 c Z	(2c)	(Cu)
  B2	=	+ ¼ A1 - ¼ A2 - x1 A3	=	+ ¼ a X - ¼ a Y - x1 c Z	(2c)	(Cu)
  B3	=	- ¼ A1 + ¼ A2 + x2 A3	=	- ¼ a X + ¼ a Y + x2 c Z	(2c)	(Ti)
  B4	=	+ ¼ A1 - ¼ A2 - x2 A3	=	+ ¼ a X - ¼ a Y - x2 c Z	(2c)	(Ti)

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).