Crystal Lattice Structures:	Reference Date:  1 Jan 1998
	Last Modified: 21 Oct 2004

The AlFe₃ (D0₃) 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)

---

Notes:

• The structure is crystallographically equivalent to the L2₁ (Heusler) structure.
• The atoms sit on the sites of a body centered cubic lattice.
• Thanks to Ying Chen for correcting the space group number.

---

• Prototype: AlFe₃
• Pearson Symbol: cF16
• Strukturbericht Designation: D0₃
• Space Group: Fm3m (Cartesian and lattice coordinate listings available)
• Number: 225^*
• Other Compounds with this Structure: BiFe₃
• Primitive Vectors

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

• Basis Vectors:

  B1	=		0		(Al)	(4a)
  B2	=	-½ A1 + ½ A2 + ½ A3	=	½ a X	(Fe)	(4b)
  B3	=	- ¼ A1 - ¼ A2 - ¼ A3	=	- ¼ a X - ¼ a Y - ¼ a Z	(Fe)	(8c)
  B4	=	+ ¼ A1 + ¼ A2 + ¼ A3	=	+ ¼ a X + ¼ a Y + ¼ a Z	(Fe)	(8c)

See these vectors as LaTeX output (with a ==> 2 a).

---

Go back to the body-centered cubic and related structures page.

Go back to Crystal Lattice Structure page.

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).