Crystal Lattice Structures: Reference Date:  1 Jan 1997 Last Modified: 13 Mar 2007

# The Hexagonal Graphite (A9) Crystal Structure

You can now

• This is a revised version of the original graphite structure phase. We have preserved the old graphite structure page here.

• According to Wyckoff, hexagonal graphite may be either flat, space group P63/mmc (#194) or buckled, spage group P63mc (#186). If it is buckled, the buckling parameter is small, less than 1/20 of the ``c'' parameter of the hexagonal unit cell.

• We will assign the A9 Strukturbericht Designation to the unbuckled structure, leaving a separate page for the Buckled (P63mc) graphite structure.
• 6 June 2006: Fixed exponents in Cartesian components of B3 and B4 basis vectors.
• 17 Feb 2007: Added C-for-Carbon labels to the basis vectors.

Experimentally, a

• Prototype: C (graphite)
• Pearson Symbol: hP4
• Strukturbericht Designation: A9
• Space Group: P63/mmc (Cartesian and lattice coordinate listings available)
• Number: 194
• Reference: Wyckoff Vol I, p 26.
• Other compunds with this structure: LiB
• Primitive Vectors:  A1 = ½ a X - ½ 31/2 a Y A2 = ½ a X + ½ 31/2 a Y A3 = c Z
• Basis Vectors:  B1 = ¼ A3 = ¼ c Z (C) (2b) B2 = ¾ A3 = ¾ c Z (C) (2b) B3 = 1/3 A1 + 2/3 A2 + ¼ A3 = ½ a X + ½ 3-½ a Y + ¼ c Z (C) (2c) B4 = 2/3 A1 + 1/3 A2 + ¾ A3 = ½ a X - ½ 3-½ a Y + ¾ c Z (C) (2c)

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 Structures indexed by: This is a mirror of an old page created at theNaval Research LaboratoryCenter for Computational Materials ScienceThe 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).