Crystal Lattice Structures:	Creation Date: 29 Apr 2002
	Last Modified: 21 Oct 2004

The CrSi₂ (C40) 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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• Pearson's Handbook does not give atomic positions for CrSi₂, so we used the data for Ge₂Ta to draw the pictures.

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• Prototype: CrSi₂
• Pearson Symbol: hP9
• Strukturbericht Designation: C40
• Space Group: P6₂22 (Cartesian and lattice coordinate listings available)
• Number: 180
• Other compounds with this structure: Ge₂Ta, Ge₂V, HfSn₂, Ge₂Nb, MoSi₂, Si₂Ta, Si₂V, Si₂W
• 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 A1 + ½ A3	=	¼ a X - ¼ 3½ a Y + ½ c Z	(Cr)	(3d)
  B2	=	½ A2 + 1/6 A3	=	¼ a X + ¼ 3½ a Y + 1/6 c Z	(Cr)	(3d)
  B3	=	½ A1 + ½ A2 + 5/6 A3	=	½ a X + 5/6 c Z	(Cr)	(3d)
  B4	=	+ x A1 + 2 x A2 + ½ A3	=	+ 3/2 x a X + ½ 3½ x a Y + ½ c Z	(Si)	(6j)
  B5	=	- 2 x A1 - x A2 + 1/6 A3	=	- 3/2 x a X + ½ 3½ x a Y + 1/6 c Z	(Si)	(6j)
  B6	=	+ x A1 - x A2 + 5/6 A3	=	- 3½ x a Y + 5/6 c Z	(Si)	(6j)
  B7	=	- x A1 - 2 x A2 + ½ A3	=	- 3/2 x a X - ½ 3½ x a Y + ½ c Z	(Si)	(6j)
  B8	=	+ 2 x A1 + x A2 + 1/6 A3	=	+ 3/2 x a X + ½ 3½ x a Y + 1/6 c Z	(Si)	(6j)
  B9	=	- x A1 + x A2 + 5/6 A3	=	+ 3½ x a Y + 5/6 c Z	(Si)	(6j)

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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).