Crystal Lattice Structures:	Creation Date: 12 Mar 2007
	Last Modified: 3 Apr 2008

The Predicted CdPt₃ (“L1₃”) 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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• 3 April 2008: The explanatory material which was previously here was not correct for the structure described in the reference, so we have modified many of the comments. Also, the Cartesian coordinates for the B₂ basis vector was missing the ½ factor.
• This is the proposed (but as yet undetected) ground state structure of CdPt₃ and the other compounds listed below (see Curtarolo et al.).
• “L1₃” is not an official Strukturbericht designation. It is shorthand reference for the structure used to emphasize its relationship to the L1₂ (Cu₃Au) structure.
• When a = √2 a_fcc, b = 2 a_fcc, and c = a_fcc/√2 then all of the atoms are located on the sites of a face centered cubic lattice with cubic lattice constant a_fcc. This is the structure described in the reference.
• When a = b this structure is equivalent to the CuTi₃ (L6₀) structure.
• When a = b = 2^½ a_bcc and c = a_bcc then all of the atoms are located on the sites of a body centered cubic lattice.

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• Prototype: CdPt₃
• Pearson Symbol: oC8
• Strukturbericht Designation: L1₃ (unofficial)
• Space Group: Cmmm (Cartesian and lattice coordinate listings available)
• Number: 65
• Reference: Curtarolo et al., Comp. Coup. Phase. Diag. Thermochem., 29, 163 (2005).
• Other Compounds suggested to have this Structure: PdPt₃, Pd₃Pt
• Primitive Vectors:

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

• Basis Vectors:

  B1	=		0		(Cd)	(2a)
  B2	=	½ A1 + ½ A2	=	½ a X	(Pt-I)	(2b)
  B3	=	½ A2 + ½ A3	=	¼ a X + ¼ b Y + ½ c X	(Pt-II)	(4f)
  B3	=	½ A1 + ½ A3	=	¼ a X - ¼ b Y + ½ c X	(Pt-II)	(4f)

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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).