Crystal Lattice Structures:	Creation Date:  4 Jun 1997
	Last Modified: 21 Oct 2004

The Zr Si₂ (C49) 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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• Thanks to Frances Ross of IBM for suggesting the inclusion of this structure.

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• Prototype: ZrSi₂
• Pearson Symbol: oC12
• Strukturbericht Designation: C49
• Space Group: Cmcm (Cartesian and lattice coordinate listings available)
• Number: 63
• Other compounds with this Structure: GaLi₂, ThGe₂, HoSn₂, LuSn₂, YPb₂, LuGe₂, InLi₂, TbSn₂, ErSn₂, HfGe₂, UGe₂
• Primitive Vectors:

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

• Basis Vectors

  B1	=	- y1 A1 + y1 A2 + ¼ A3	=	+ y 1 b Y + ¼ c Z	(Zr)	(4c)
  B2	=	+ y1 A1 - y1 A2 + ¾ A3	=	- y 1 b Y + ¾ c Z	(Zr)	(4c)
  B3	=	- y2 A1 + y2 A2 + ¼ A3	=	+ y 2 b Y + ¼ c Z	(Si-I)	(4c)
  B4	=	+ y2 A1 - y2 A2 + ¾ A3	=	- y 2 b Y + ¾ c Z	(Si-I)	(4c)
  B5	=	- y3 A1 + y3 A2 + ¼ A3	=	+ y 3 b Y + ¼ c Z	(Si-II)	(4c)
  B6	=	+ y3 A1 - y3 A2 + ¾ A3	=	- y 3 b Y + ¾ c Z	(Si-II)	(4c)

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).