Crystal Lattice Structures:	Creation Date: 16 Feb 2003
	Last Modified: 21 Oct 2004

The Fe₃W₃C (E9₃) 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)

---

• We choose the representation of Fd3m which has the origin at the inversion site.
• The (48f) site is a random mixture of 32 W and 16 Fe atoms. We use W for this site in the pictures above.
• According to Strukturbericht, each C (16c) atom has a two neighboring Fe (32e) atoms at a distance of 0.96 Å. The second Fe atom doesn't show up here because all of the Carbon atoms are on the edge of the cubic cell.
• The figures above replace the Fe (16d) atoms by Cr for clarity.

---

• Prototype: Fe₃W₃C
• Pearson Symbol: cF112
• Strukturbericht Designation: E9₃
• Space Group: Fd3m (Cartesian and lattice coordinate listings available)
• Number: 227
• Reference: Strukturbericht Vol. III, pp. 71-72.
• 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		(C)	(16c)
  B2	=	½ A1	=	¼ a Y + ¼ a Z	(C)	(16c)
  B3	=	½ A2	=	¼ a X + ¼ a Z	(C)	(16c)
  B4	=	½ A3	=	¼ a X + ¼ a Y	(C)	(16c)
  B5	=	½ A2 - ½ A3	=	- ¼ a Y + ¼ a Z	(Fe-I)	(16d)
  B6	=	½ A1 - ½ A3	=	- ¼ a X + ¼ a Z	(Fe-I)	(16d)
  B7	=	½ A1 - ½ A2	=	- ¼ a X + ¼ a Y	(Fe-I)	(16d)
  B8	=	- ½ A1 + ½ A2 + ½ A3	=	½ a X	(Fe-I)	(16d)
  B9	=	+ x1 A1 + x1 A2 + x1 A3	=	+ x1 a X + x1 a Y + x1 a Z	(Fe-II)	(32e)
  B10	=	+ x1 A1 + x1 A2 + (½ - 3 x1) A3	=	+ (¼ - x1) a X + (¼ - x1) a Y + x1 a Z	(Fe-II)	(32e)
  B11	=	+ x1 A1 + (½ - 3 x1) A2 + x1 A3	=	+ (¼ - x1) a X + x1 a Y + (¼ - x1) a Z	(Fe-II)	(32e)
  B12	=	+ (½ - 3 x1) A1 + x1 A2 + x1 A3	=	+ x1 a X + (¼ - x1) a Y + (¼ - x1) a Z	(Fe-II)	(32e)
  B9	=	- x1 A1 - x1 A2 - x1 A3	=	- x1 a X - x1 a Y - x1 a Z	(Fe-II)	(32e)
  B10	=	- x1 A1 - x1 A2 - (½ - 3 x1) A3	=	- (¼ - x1) a X - (¼ - x1) a Y - x1 a Z	(Fe-II)	(32e)
  B11	=	- x1 A1 - (½ - 3 x1) A2 - x1 A3	=	- (¼ - x1) a X - x1 a Y - (¼ - x1) a Z	(Fe-II)	(32e)
  B12	=	- (½ - 3 x1) A1 - x1 A2 - x1 A3	=	- x1 a X - (¼ - x1) a Y - (¼ - x1) a Z	(Fe-II)	(32e)
  B13	=	+ (¼ - x2) A1 + x2 A2 + x2 A3	=	+ x2 a X + 1/8 a Y + 1/8 a Z	(W3Fe)	(48f)
  B14	=	+ x2 A1 + (¼ - x2) A2 + x2 A3	=	+ 1/8 a X + x2 a Y + 1/8 a Z	(W3Fe)	(48f)
  B15	=	+ x2 A1 + x2 A2 + (¼ - x2) A3	=	+ 1/8 a X + 1/8 a Y + x2 a Z	(W3Fe)	(48f)
  B16	=	- x2 A1 + (¼ + x2) A2 + (¼ + x2) A3	=	- x2 a X + 1/8 a Y + 1/8 a Z	(W3Fe)	(48f)
  B17	=	+ (¼ + x2) A1 - x2 A2 + (¼ + x2) A3	=	+ 1/8 a X - x2 a Y + 1/8 a Z	(W3Fe)	(48f)
  B18	=	+ (¼ + x2) A1 + (¼ + x2) A2 - x2 A1	=	+ 1/8 a X + 1/8 a Y - x2 a Z	(W3Fe)	(48f)
  B19	=	- (¼ - x2) A1 - x2 A2 - x2 A3	=	- x2 a X - 1/8 a Y - 1/8 a Z	(W3Fe)	(48f)
  B20	=	- x2 A1 - (¼ - x2) A2 - x2 A3	=	- 1/8 a X - x2 a Y - 1/8 a Z	(W3Fe)	(48f)
  B21	=	- x2 A1 - x2 A2 - (¼ - x2) A3	=	- 1/8 a X - 1/8 a Y - x2 a Z	(W3Fe)	(48f)
  B22	=	+ x2 A1 - (¼ + x2) A2 - (¼ + x2) A3	=	+ x2 a X - 1/8 a Y - 1/8 a Z	(W3Fe)	(48f)
  B23	=	- (¼ + x2) A1 + x2 A2 - (¼ + x2) A3	=	- 1/8 a X + x2 a Y - 1/8 a Z	(W3Fe)	(48f)
  B24	=	- (¼ + x2) A1 - (¼ + x2) A2 + x2 A1	=	- 1/8 a X - 1/8 a Y + x2 a Z	(W3Fe)	(48f)

---

Go back to the other 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).