Crystal Lattice Structures:	Creation Date:  2 Jan 2003
	Last Modified:  2 Jun 2008

The Al₄Ba (D1₃) 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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• Removing the Al-I atoms transforms this to the MoSi₂ (C11_b) structure.
• We've adjusted the lattice constants on page 484 in Pearson to better agree with the nearest neighbor distances given on page 485.

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• Prototype: Al₄Ba
• Pearson Symbol: tI10
• Strukturbericht Designation: D1₃
• Space Group: I4/mmm (Cartesian and lattice coordinate listings available)
• Number: 139
• Reference: Pearson, Alloys, pp. 484-5.
• Other compounds with this structure: ThCu₂Si₂, ThCr₂Si₂, BaFe₂As₂, KFe₂As₂, hundreds more …
• Primitive Vectors:

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

• Basis Vectors:

  B1	=		0		(Ba)	(2a)
  B2	=	- ¼ A1 + ¼ A2 + ½ A3	=	½ a Y + ¼ c Z	(Al-I)	(4d)
  B3	=	+ ¼ A1 - ¼ A2 + ½ A3	=	½ a X + ¼ c Z	(Al-I)	(4d)
  B4	=	- z A1 - z A2 + 2 z A3	=	+ z c Z	(Al-II)	(4e)
  B5	=	+ z A1 + z A2 - 2 z A3	=	- z c Z	(Al-II)	(4e)

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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).