Crystal Lattice Structures:	Creation Date: 22 Dec 1995
	Last Modified: 21 Oct 2004

The Rutile (C4) 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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• 22 March 2003: As pointed out by Mengbo Luo, the Cartesian coordinates of the B₂ basis vector were incorrect. The vectors in LaTeX output format remain correct.

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• Prototype: TiO₂ (Rutile)
• Pearson Symbol: tP6
• Strukturbericht Designation: C4
• Space Group: P4₂/mnm (Cartesian and lattice coordinate listings available)
• Number: 136
• Reference: Wyckoff, Vol. I, pp. 250-2
• Other compounds with this Structure: CoF₂, MgF₂, MnF₂, NiF₂, ZnF₂, GeO₂, IrO₂, MoO₂, PbO₂, SiO₂ (Stishovite), SnO₂ (Cassiterite), TaO₂, WO₂
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	0			(Ti)	(2a)
  B2	=	½ A1 + ½ A2 + ½ A3	=	½ a X + ½ a Y + ½ c Z	(Ti)	(2a)
  B3	=	+ u A1 + u A2	=	+ a u X + a u Y	(O)	(4f)
  B4	=	- u A1 - u A2	=	- a u X - a u Y	(O)	(4f)
  B5	=	(½ + u) A1 + (½ - u) A2 + ½ A3	=	(½ + u) a X + (½ - u) a Y +½ c Z	(O)	(4f)
  B6	=	(½ - u) A1 + (½ + u) A2 + ½ A3	=	(½ - u) a X + (½ + u) a Y +½ c Z	(O)	(4f)

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).