Crystal Lattice Structures:	Creation Date: 30 Sep 1997
	Last Modified: 21 Oct 2004

The Fe₂C 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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• This has the same space group and lattice positions as Marcasite (C18) and CaCl₂ (C35). However, in Marcasite it's the sulfur on the (4g) sites and the iron on the (2a) sites, so we'll consider this a different kind of compound.
• Hellner and Schwarz say that this is a derivative of the bcc structure, and who am I to argue?

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• Prototype: Fe₂C
• Pearson Symbol: oP6
• Space Group: Pnnm (Cartesian and lattice coordinate listings available)
• Number: 58
• Primitive Vectors:

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

• Basis Vectors:

  B1	=		0		(C)	(2a)
  B2	=	½ A1 + ½ A2 + ½ A3	=	½ a X + ½ b Y + ½ c Z	(C)	(2a)
  B3	=	+ x A1 + y A2	=	+ x a X + y b Y	(Fe)	(4g)
  B4	=	- x A1 - y A2	=	- x a X - y b Y	(Fe)	(4g)
  B5	=	(½ - x) A1 + (½ + y) A2 + ½ A3	=	(½ - x) a X + (½ + y )b Y + ½ c Z	(Fe)	(4g)
  B6	=	(½ + x) A1 + (½ - y) A2 + ½ A3	=	(½ + x) a X + (½ - y) b Y + ½ c Z	(Fe)	(4g)

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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).