Crystal Lattice Structures:	Creation Date: 21 Oct 1995
	Last Modified: 21 Oct 2004

The Original Fe₂P (C22) Crystal 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 is the structure given in Strukturbericht Vol. II. As noted by Wyckoff, the structure, which was ``generally accepted for years, has recently been shown to be incorrect.'' (Vol I., p 360) This corrected structure, as given in Pearson's Handbook, is given in the revised Fe₂P page.
• When z₁ is set to zero this structure reverts to the revised Fe₂P structure.
• We used the FINDSYM code to convert the Strukturbericht notation into the modern form.

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• Prototype: Fe₂P (original)
• Pearson Symbol: hP9
• Strukturbericht Designation: C22
• Space Group: P321 (Cartesian and lattice coordinate listings available)
• Number: 150
• Reference: Strukturbericht, Vol II, p. 15.
• Primitive Vectors:

  A1	=	½ a X - ½ 3½ a Y
  A2	=	½ a X + ½ 3½ a Y
  A3	=	c Z

• Basis Vectors:

  B1	=	½ A3	=	½ c Z	(P-I)	(1b)
  B2	=	1/3 A1 + 2/3 A2 + z1 A3	=	½ a X + 12-½ a Y + z1 Z	(P-II)	(2d)
  B3	=	2/3 A1 + 1/3 A2 - z1 A3	=	½ a X - 12-½ a Y - z1 Z	(P-II)	(2d)
  B4	=	x2 A1	=	½ x2 a X - ½ x2 3½ a Y	(Fe-I)	(3e)
  B5	=	x2 A2	=	½ x2 a X + ½ x2 3½ a Y	(Fe-I)	(3e)
  B6	=	- x2 A1 - x2 A2	=	- x2 a X	(Fe-I)	(3e)
  B7	=	x3 A1 + ½ A3	=	½ x3 a X - ½ x3 3½ a Y + ½ c Z	(Fe-II)	(3f)
  B8	=	x3 A2 + ½ A3	=	½ x3 a X + ½ x3 3½ a Y + ½ c Z	(Fe-II)	(3f)
  B9	=	- x3 A1 - x3 A2 + ½ A3	=	- x3 a X + ½ c Z	(Fe-II)	(3f)

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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).