Crystal Lattice Structures:	Creation Date: 26 Sep 1997
	Last Modified: 10 Jun 2005

The Cementite (D0₁₁) 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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• Note that Bainite is another structure with composition Fe₃C.

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• Prototype: Fe₃C
• Pearson Symbol: oP16
• Strukturbericht Designation: D0₁₁
• Space Group: Pnma (Cartesian and lattice coordinate listings available)
• Number: 62
• Reference: Villars and Calvert, Pearson's Handbook Vol. II, p. 1894.
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	+ x1 A1 + ¼ A2 + z1 A3	=	+ x1 a X + ¼ b Y + z1 c Z	(C)	(4c)
  B2	=	- x1 A1 + ¾ A2 - z1 A3	=	- x1 a X + ¾ b Y - z1 c Z	(C)	(4c)
  B3	=	(½ - x1) A1 + ¾ A2 + (½ + z1) A3	=	(½ - x1) a X + ¾ b Y + (½ + z1) c Z	(C)	(4c)
  B4	=	(½ + x1) A1 + ¼ A2 + (½ - z1) A3	=	(½ + x1) a X + ¼ b Y + (½ - z1) c Z	(C)	(4c)
  B5	=	+ x2 A1 + ¼ A2 + z2 A3	=	+ x2 a X + ¼ b Y + z2 c Z	(Fe I)	(4c)
  B6	=	- x2 A1 + ¾ A2 - z2 A3	=	- x2 a X + ¾ b Y - z2 c Z	(Fe I)	(4c)
  B7	=	(½ - x2) A1 + ¾ A2 + (½ + z2) A3	=	(½ - x2) a X + ¾ b Y + (½ + z2) c Z	(Fe I)	(4c)
  B8	=	(½ + x2) A1 + ¼ A2 + (½ - z2) A3	=	(½ + x2) a X + ¼ b Y + (½ - z2) c Z	(Fe I)	(4c)
  B9	=	+ x3 A1 + y3 A2 + z3 A3	=	+ x3 a X + y3 b Y + z3 c Z	(Fe II)	(8d)
  B10	=	- x3 A1 - y3 A2 - z3 A3	=	- x3 a X - y3 b Y - z3 c Z	(Fe II)	(8d)
  B11	=	(½ + x3) A1 + (½ - y3) A2 + (½ - z3) A3	=	+ (½ + x3) a X + (½ - y3) b Y + (½ - z3) c Z	(Fe II)	(8d)
  B12	=	(½ - x3) A1 + (½ + y3) A2 + (½ + z3) A3	=	+ (½ - x3) a X + (½ + y3) b Y + (½ + z3) c Z	(Fe II)	(8d)
  B13	=	- x3 A1 + (½ + y3) A2 - z3 A3	=	- x3 a X + (½ + y3) b Y - z3 c Z	(Fe II)	(8d)
  B14	=	+ x3 A1 + (½ - y3) A2 + z3 A3	=	+ x3 a X + (½ - y3) b Y + z3 c Z	(Fe II)	(8d)
  B15	=	(½ - x3) A1 - y3 A2 + (½ + z3) A3	=	+ (½ - x3) a X - y3 b Y + (½ + z3) c Z	(Fe II)	(8d)
  B16	=	(½ + x3) A1 + y3 A2 + (½ - z3) A3	=	+ (½ + x3) a X + y3 b Y + (½ - z3) c Z	(Fe II)	(8d)

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).