Crystal Lattice Structures:	Creation Date: 20 Apr 2002
	Last Modified: 21 Oct 2004

The βO₂ 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 structure has the same symmetry and Wyckoff positions as rhombohedral graphite and αAs (A7). The relative positions of the atoms are rather different, however.
• The rhombohedral lattice can be specified by the length of the primitive vectors, a, and the angle between them, θ, or by the lattice constants of the equivalent hexagonal lattice. In terms of a and θ we have
  
  a_hex = 2 a sin(½ θ)
  
  c_hex = a {3 [1 + 2 cos(θ)]}^½

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• Prototype: βO₂
• Pearson Symbol: hR2
• Space Group: R3m (Cartesian and lattice coordinate listings available)
• Number: 166
• Reference: R. J. Meier and R. B. Helmholdt, Phys. Rev. B 29, 1387 (1984)
• Primitive Vectors:

  A1	=	+ ahex/2 X - ahex/(2 31/2) Y + chex/3 Z
  A2	=	+ ahex/31/2 Y + chex/3 Z
  A3	=	- ahex/2 X - ahex/(2 31/2) Y + chex/3 Z

• Basis Vectors:

  B1	=	+ z (A1 + A2 + A3)	=	+ z chex Z	(O)	(2c)
  B2	=	- z (A1 + A2 + A3)	=	- z chex Z	(O)	(2c)

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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).